(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C23H23Cl2N3O2 — CID 10765698

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1
InChIInChI=1S/C23H23Cl2N3O2/c24-19-7-6-17(13-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22/h1-7,12-13,16,26H,8-11,14-15H2
InChIKeyKSZMCVDTZBUUIA-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.29
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10765698) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10765698
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1
InChIInChI=1S/C23H23Cl2N3O2/c24-19-7-6-17(13-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22/h1-7,12-13,16,26H,8-11,14-15H2
InChIKeyKSZMCVDTZBUUIA-UHFFFAOYSA-N
XLogP5.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,4-Dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10411236
(3-Chloro-4-fluorophenyl)-(4-fluoro-4-{[(6-furan-2-yl-pyridin-2-yl-methyl)amino]methyl}-piperidin-1-yl)methanone
CID 10647006
(3,4-Dichlorophenyl)-[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10716378
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10718870
N-[(4-Chlorophenyl)methyl]-6-[(furan-2-YL)methyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxamide
CID 16026775
1-[[2-(3,4-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 71768512
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-3-carboxamide
CID 3236474
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242637
[4-[[(6-Butoxy-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10575529
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 2108786
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3236063
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-3-carboxamide
CID 3242622

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10765698) is (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is KSZMCVDTZBUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c24-19-7-6-17(13-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22/h1-7,12-13,16,26H,8-11,14-15H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 444.36 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10765698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).