1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide

C25H30ClN3O2 — CID 50804302

IUPAC1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H30ClN3O2/c26-22-10-8-20(9-11-22)25(31)29-16-4-5-21(18-29)24(30)27-23-12-6-19(7-13-23)17-28-14-2-1-3-15-28/h6-13,21H,1-5,14-18H2,(H,27,30)
InChIKeyMSJCPODSLQPBEO-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.82
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 50804302) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID50804302
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H30ClN3O2/c26-22-10-8-20(9-11-22)25(31)29-16-4-5-21(18-29)24(30)27-23-12-6-19(7-13-23)17-28-14-2-1-3-15-28/h6-13,21H,1-5,14-18H2,(H,27,30)
InChIKeyMSJCPODSLQPBEO-UHFFFAOYSA-N
XLogP4.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide
CID 95154867
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(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
N-(6-amino-3-pyridinyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119515373
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide (CID 50804302) is 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(CN2CCCCC2)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is MSJCPODSLQPBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c26-22-10-8-20(9-11-22)25(31)29-16-4-5-21(18-29)24(30)27-23-12-6-19(7-13-23)17-28-14-2-1-3-15-28/h6-13,21H,1-5,14-18H2,(H,27,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 50804302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).