1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

C121H131Cl12N13O8S6 — CID 123397285

IUPAC1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(=O)C1CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.CC1(C)CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1.CCC1CCCCN1C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1.CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.O=C(c1cccc(CSc2c(Cl)cccc2Cl)n1)N1CCCCC1
InChIInChI=1S/C23H27Cl2N3O2S.C20H20Cl2N2O2S.3C20H22Cl2N2OS.C18H18Cl2N2OS/c1-3-27(4-2)22(29)16-8-7-13-28(14-16)23(30)20-12-5-9-17(26-20)15-31-21-18(24)10-6-11-19(21)25;1-13(25)14-5-4-10-24(11-14)20(26)18-9-2-6-15(23-18)12-27-19-16(21)7-3-8-17(19)22;1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-26-18-15(21)7-4-8-16(18)22;1-13-6-3-7-14(2)24(13)20(25)18-11-4-8-15(23-18)12-26-19-16(21)9-5-10-17(19)22;1-2-15-8-3-4-12-24(15)20(25)18-11-5-7-14(23-18)13-26-19-16(21)9-6-10-17(19)22;19-14-7-5-8-15(20)17(14)24-12-13-6-4-9-16(21-13)18(23)22-10-2-1-3-11-22/h5-6,9-12,16H,3-4,7-8,13-15H2,1-2H3;2-3,6-9,14H,4-5,10-12H2,1H3;3-4,6-9H,5,10-13H2,1-2H3;4-5,8-11,13-14H,3,6-7,12H2,1-2H3;5-7,9-11,15H,2-4,8,12-13H2,1H3;4-9H,1-3,10-12H2
InChIKeyOYOBHZUZRDBUGY-UHFFFAOYSA-N
MW2513.30 g/mol
LogP33.94
Rot. Bonds29

About 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 123397285) has the molecular formula C121H131Cl12N13O8S6 and a molecular weight of 2513.30 g/mol. Its IUPAC name is 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID123397285
Molecular FormulaC121H131Cl12N13O8S6
Molecular Weight2513.30 g/mol
Exact Mass2505.48
IUPAC Name1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(=O)C1CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.CC1(C)CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1.CCC1CCCCN1C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1.CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.O=C(c1cccc(CSc2c(Cl)cccc2Cl)n1)N1CCCCC1
InChIInChI=1S/C23H27Cl2N3O2S.C20H20Cl2N2O2S.3C20H22Cl2N2OS.C18H18Cl2N2OS/c1-3-27(4-2)22(29)16-8-7-13-28(14-16)23(30)20-12-5-9-17(26-20)15-31-21-18(24)10-6-11-19(21)25;1-13(25)14-5-4-10-24(11-14)20(26)18-9-2-6-15(23-18)12-27-19-16(21)7-3-8-17(19)22;1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-26-18-15(21)7-4-8-16(18)22;1-13-6-3-7-14(2)24(13)20(25)18-11-4-8-15(23-18)12-26-19-16(21)9-5-10-17(19)22;1-2-15-8-3-4-12-24(15)20(25)18-11-5-7-14(23-18)13-26-19-16(21)9-6-10-17(19)22;19-14-7-5-8-15(20)17(14)24-12-13-6-4-9-16(21-13)18(23)22-10-2-1-3-11-22/h5-6,9-12,16H,3-4,7-8,13-15H2,1-2H3;2-3,6-9,14H,4-5,10-12H2,1H3;3-4,6-9H,5,10-13H2,1-2H3;4-5,8-11,13-14H,3,6-7,12H2,1-2H3;5-7,9-11,15H,2-4,8,12-13H2,1H3;4-9H,1-3,10-12H2
InChIKeyOYOBHZUZRDBUGY-UHFFFAOYSA-N
XLogP33.94
TPSA236.58 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002513.30
LogP ≤ 533.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 123397285) is 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is CC(=O)C1CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.CC1(C)CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1.CCC1CCCCN1C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1.CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)C1.O=C(c1cccc(CSc2c(Cl)cccc2Cl)n1)N1CCCCC1.
What is the InChIKey of 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is OYOBHZUZRDBUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2S.C20H20Cl2N2O2S.3C20H22Cl2N2OS.C18H18Cl2N2OS/c1-3-27(4-2)22(29)16-8-7-13-28(14-16)23(30)20-12-5-9-17(26-20)15-31-21-18(24)10-6-11-19(21)25;1-13(25)14-5-4-10-24(11-14)20(26)18-9-2-6-15(23-18)12-27-19-16(21)7-3-8-17(19)22;1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-26-18-15(21)7-4-8-16(18)22;1-13-6-3-7-14(2)24(13)20(25)18-11-4-8-15(23-18)12-26-19-16(21)9-5-10-17(19)22;1-2-15-8-3-4-12-24(15)20(25)18-11-5-7-14(23-18)13-26-19-16(21)9-6-10-17(19)22;19-14-7-5-8-15(20)17(14)24-12-13-6-4-9-16(21-13)18(23)22-10-2-1-3-11-22/h5-6,9-12,16H,3-4,7-8,13-15H2,1-2H3;2-3,6-9,14H,4-5,10-12H2,1H3;3-4,6-9H,5,10-13H2,1-2H3;4-5,8-11,13-14H,3,6-7,12H2,1-2H3;5-7,9-11,15H,2-4,8,12-13H2,1H3;4-9H,1-3,10-12H2.
What are the key properties of 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 2513.30 g/mol, XLogP of 33.94, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 123397285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).