1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide

C23H28ClN5O2 — CID 16613341

IUPAC1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CC1
InChIInChI=1S/C23H28ClN5O2/c1-27-11-13-28(14-12-27)21-9-8-20(15-25-21)26-22(30)18-3-2-10-29(16-18)23(31)17-4-6-19(24)7-5-17/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,26,30)
InChIKeyDSBBNWQSEBOWBW-UHFFFAOYSA-N
MW441.96 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide (PubChem CID 16613341) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
PubChem CID16613341
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC Name1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CC1
InChIInChI=1S/C23H28ClN5O2/c1-27-11-13-28(14-12-27)21-9-8-20(15-25-21)26-22(30)18-3-2-10-29(16-18)23(31)17-4-6-19(24)7-5-17/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,26,30)
InChIKeyDSBBNWQSEBOWBW-UHFFFAOYSA-N
XLogP2.98
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobenzoyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 55561062
N-(6-amino-3-pyridinyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119515373
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
1-(4-chlorobenzoyl)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 112794351
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
(3S)-1-(4-chlorobenzoyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-3-carboxamide
CID 41134061

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide (CID 16613341) is 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide is CN1CCN(c2ccc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide?
The InChIKey is DSBBNWQSEBOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-27-11-13-28(14-12-27)21-9-8-20(15-25-21)26-22(30)18-3-2-10-29(16-18)23(31)17-4-6-19(24)7-5-17/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,26,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 16613341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).