N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C26H27ClN2O — CID 46883509

IUPACN-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C26H27ClN2O/c1-26(23-8-3-2-4-9-23)15-6-16-29(19-26)25(30)28-18-20-11-13-21(14-12-20)22-7-5-10-24(27)17-22/h2-5,7-14,17H,6,15-16,18-19H2,1H3,(H,28,30)
InChIKeySFAHBRRRIPXYTB-UHFFFAOYSA-N
MW418.97 g/mol
LogP6.27
Rot. Bonds4

About N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 46883509) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID46883509
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC NameN-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C26H27ClN2O/c1-26(23-8-3-2-4-9-23)15-6-16-29(19-26)25(30)28-18-20-11-13-21(14-12-20)22-7-5-10-24(27)17-22/h2-5,7-14,17H,6,15-16,18-19H2,1H3,(H,28,30)
InChIKeySFAHBRRRIPXYTB-UHFFFAOYSA-N
XLogP6.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
N-(4-chlorophenethyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643589
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
Gsk2850163
CID 73291790
1-[[4-[4-(3-Chlorophenyl)phenyl]-1-methylpiperidin-4-yl]methyl]-3-(3,5-dichlorophenyl)urea
CID 10164110
N-benzhydryl-4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11526129
N-benzhydryl-4-[(2-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11620221
N-benzhydryl-4-[(3-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11663287
N-cyclohexyl-4-((2,5-dichlorophenyl)(phenyl)methyl)piperazine-1-carboxamide
CID 44177475
Urea, N,N'-bis((3-chlorophenyl)phenylmethyl)-
CID 3074694

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 46883509) is N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3cccc(Cl)c3)cc2)C1.
What is the InChIKey of N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is SFAHBRRRIPXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-26(23-8-3-2-4-9-23)15-6-16-29(19-26)25(30)28-18-20-11-13-21(14-12-20)22-7-5-10-24(27)17-22/h2-5,7-14,17H,6,15-16,18-19H2,1H3,(H,28,30).
What are the key properties of N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 418.97 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46883509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).