1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C21H31Cl2N3O3S — CID 55721464

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCN(C(C)CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1
InChIInChI=1S/C21H31Cl2N3O3S/c1-15-4-3-9-25(14-15)16(2)13-24-21(27)17-7-10-26(11-8-17)30(28,29)20-12-18(22)5-6-19(20)23/h5-6,12,15-17H,3-4,7-11,13-14H2,1-2H3,(H,24,27)
InChIKeySROSKXRCUHDVBN-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.63
Rot. Bonds6

About 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 55721464) has the molecular formula C21H31Cl2N3O3S and a molecular weight of 476.47 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID55721464
Molecular FormulaC21H31Cl2N3O3S
Molecular Weight476.47 g/mol
Exact Mass475.15
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCN(C(C)CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1
InChIInChI=1S/C21H31Cl2N3O3S/c1-15-4-3-9-25(14-15)16(2)13-24-21(27)17-7-10-26(11-8-17)30(28,29)20-12-18(22)5-6-19(20)23/h5-6,12,15-17H,3-4,7-11,13-14H2,1-2H3,(H,24,27)
InChIKeySROSKXRCUHDVBN-UHFFFAOYSA-N
XLogP3.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55721126
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
1-(2,5-dichlorophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 3157088
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 55422458
N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55702024
(3R)-1-(2,5-dichlorophenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404607
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 55721464) is 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is CC1CCCN(C(C)CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is SROSKXRCUHDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31Cl2N3O3S/c1-15-4-3-9-25(14-15)16(2)13-24-21(27)17-7-10-26(11-8-17)30(28,29)20-12-18(22)5-6-19(20)23/h5-6,12,15-17H,3-4,7-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 476.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55721464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).