(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C23H27ClN4O2 — CID 8967746

IUPAC(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C23H27ClN4O2/c24-20-10-4-5-11-21(20)26-13-15-27(16-14-26)22(29)18-7-6-12-28(17-18)23(30)25-19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2,(H,25,30)/t18-/m1/s1
InChIKeyUGYYVTFLJYJRSL-GOSISDBHSA-N
MW426.95 g/mol
LogP3.93
Rot. Bonds3

About (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 8967746) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID8967746
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C23H27ClN4O2/c24-20-10-4-5-11-21(20)26-13-15-27(16-14-26)22(29)18-7-6-12-28(17-18)23(30)25-19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2,(H,25,30)/t18-/m1/s1
InChIKeyUGYYVTFLJYJRSL-GOSISDBHSA-N
XLogP3.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
(3R)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 33179413

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 8967746) is (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is UGYYVTFLJYJRSL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-20-10-4-5-11-21(20)26-13-15-27(16-14-26)22(29)18-7-6-12-28(17-18)23(30)25-19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2,(H,25,30)/t18-/m1/s1.
What are the key properties of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 8967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).