(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide

C25H30ClN3O2 — CID 93060233

IUPAC(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C25H30ClN3O2/c26-22-10-4-8-20(16-22)25(31)29-13-5-9-21(18-29)24(30)27-23-11-14-28(15-12-23)17-19-6-2-1-3-7-19/h1-4,6-8,10,16,21,23H,5,9,11-15,17-18H2,(H,27,30)/t21-/m1/s1
InChIKeySFLWZLHMZLBPHZ-OAQYLSRUSA-N
MW439.99 g/mol
LogP3.97
Rot. Bonds5

About (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide

(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 93060233) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID93060233
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C25H30ClN3O2/c26-22-10-4-8-20(16-22)25(31)29-13-5-9-21(18-29)24(30)27-23-11-14-28(15-12-23)17-19-6-2-1-3-7-19/h1-4,6-8,10,16,21,23H,5,9,11-15,17-18H2,(H,27,30)/t21-/m1/s1
InChIKeySFLWZLHMZLBPHZ-OAQYLSRUSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide (CID 93060233) is (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is SFLWZLHMZLBPHZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c26-22-10-4-8-20(16-22)25(31)29-13-5-9-21(18-29)24(30)27-23-11-14-28(15-12-23)17-19-6-2-1-3-7-19/h1-4,6-8,10,16,21,23H,5,9,11-15,17-18H2,(H,27,30)/t21-/m1/s1.
What are the key properties of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide?
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 93060233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).