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

C27H30N2O — CID 134801576

IUPACN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC(NC(=O)c4ccccc4)C3)cc2)c1
InChIInChI=1S/C27H30N2O/c1-20-15-21(2)17-25(16-20)23-12-10-22(11-13-23)18-29-14-6-9-26(19-29)28-27(30)24-7-4-3-5-8-24/h3-5,7-8,10-13,15-17,26H,6,9,14,18-19H2,1-2H3,(H,28,30)
InChIKeyLLMOEPMODJRVEO-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.36
Rot. Bonds5

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

N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide (PubChem CID 134801576) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
PubChem CID134801576
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC(NC(=O)c4ccccc4)C3)cc2)c1
InChIInChI=1S/C27H30N2O/c1-20-15-21(2)17-25(16-20)23-12-10-22(11-13-23)18-29-14-6-9-26(19-29)28-27(30)24-7-4-3-5-8-24/h3-5,7-8,10-13,15-17,26H,6,9,14,18-19H2,1-2H3,(H,28,30)
InChIKeyLLMOEPMODJRVEO-UHFFFAOYSA-N
XLogP5.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134802067
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
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The IUPAC name of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide (CID 134801576) is N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide is Cc1cc(C)cc(-c2ccc(CN3CCCC(NC(=O)c4ccccc4)C3)cc2)c1.
What is the InChIKey of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The InChIKey is LLMOEPMODJRVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-20-15-21(2)17-25(16-20)23-12-10-22(11-13-23)18-29-14-6-9-26(19-29)28-27(30)24-7-4-3-5-8-24/h3-5,7-8,10-13,15-17,26H,6,9,14,18-19H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide has a molecular weight of 398.55 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 134801576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).