2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide

C27H29ClN2O — CID 134802067

IUPAC2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC(NC(=O)c4ccccc4Cl)C3)cc2)c1
InChIInChI=1S/C27H29ClN2O/c1-19-14-20(2)16-23(15-19)22-11-9-21(10-12-22)17-30-13-5-6-24(18-30)29-27(31)25-7-3-4-8-26(25)28/h3-4,7-12,14-16,24H,5-6,13,17-18H2,1-2H3,(H,29,31)
InChIKeyZAGBJZRXHSXHDS-UHFFFAOYSA-N
MW433.00 g/mol
LogP6.02
Rot. Bonds5

About 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide

2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide (PubChem CID 134802067) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
PubChem CID134802067
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC Name2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC(NC(=O)c4ccccc4Cl)C3)cc2)c1
InChIInChI=1S/C27H29ClN2O/c1-19-14-20(2)16-23(15-19)22-11-9-21(10-12-22)17-30-13-5-6-24(18-30)29-27(31)25-7-3-4-8-26(25)28/h3-4,7-12,14-16,24H,5-6,13,17-18H2,1-2H3,(H,29,31)
InChIKeyZAGBJZRXHSXHDS-UHFFFAOYSA-N
XLogP6.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134801546
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide (CID 134802067) is 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide is Cc1cc(C)cc(-c2ccc(CN3CCCC(NC(=O)c4ccccc4Cl)C3)cc2)c1.
What is the InChIKey of 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The InChIKey is ZAGBJZRXHSXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c1-19-14-20(2)16-23(15-19)22-11-9-21(10-12-22)17-30-13-5-6-24(18-30)29-27(31)25-7-3-4-8-26(25)28/h3-4,7-12,14-16,24H,5-6,13,17-18H2,1-2H3,(H,29,31).
What are the key properties of 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide has a molecular weight of 433.00 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 134802067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).