1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide

C23H29ClN4O2 — CID 56511645

IUPAC1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-4-27(16-17-5-7-18(8-6-17)22(29)26(2)3)23(30)19-11-13-28(14-12-19)21-10-9-20(24)15-25-21/h5-10,15,19H,4,11-14,16H2,1-3H3
InChIKeyABBPPYCFOFCEDT-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.70
Rot. Bonds6

About 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 56511645) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
PubChem CID56511645
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-4-27(16-17-5-7-18(8-6-17)22(29)26(2)3)23(30)19-11-13-28(14-12-19)21-10-9-20(24)15-25-21/h5-10,15,19H,4,11-14,16H2,1-3H3
InChIKeyABBPPYCFOFCEDT-UHFFFAOYSA-N
XLogP3.70
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide
CID 55689806
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56511013
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 56512423
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 39412430
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78851941
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55687111

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide (CID 56511645) is 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is ABBPPYCFOFCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-4-27(16-17-5-7-18(8-6-17)22(29)26(2)3)23(30)19-11-13-28(14-12-19)21-10-9-20(24)15-25-21/h5-10,15,19H,4,11-14,16H2,1-3H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 56511645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).