4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide

C30H36N2O — CID 99132118

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C30H36N2O/c1-22-9-10-23(2)29(19-22)24(3)31-30(33)28-13-11-27(12-14-28)21-32-17-15-26(16-18-32)20-25-7-5-4-6-8-25/h4-14,19,24,26H,15-18,20-21H2,1-3H3,(H,31,33)/t24-/m1/s1
InChIKeyYFDOSTJHTQUVRT-XMMPIXPASA-N
MW440.63 g/mol
LogP6.25
Rot. Bonds7

About 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide

4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide (PubChem CID 99132118) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
PubChem CID99132118
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C30H36N2O/c1-22-9-10-23(2)29(19-22)24(3)31-30(33)28-13-11-27(12-14-28)21-32-17-15-26(16-18-32)20-25-7-5-4-6-8-25/h4-14,19,24,26H,15-18,20-21H2,1-3H3,(H,31,33)/t24-/m1/s1
InChIKeyYFDOSTJHTQUVRT-XMMPIXPASA-N
XLogP6.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53286053
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 155522708
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 155528494
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide (CID 99132118) is 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide is Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide?
The InChIKey is YFDOSTJHTQUVRT-XMMPIXPASA-N. The full InChI is InChI=1S/C30H36N2O/c1-22-9-10-23(2)29(19-22)24(3)31-30(33)28-13-11-27(12-14-28)21-32-17-15-26(16-18-32)20-25-7-5-4-6-8-25/h4-14,19,24,26H,15-18,20-21H2,1-3H3,(H,31,33)/t24-/m1/s1.
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide?
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide has a molecular weight of 440.63 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 99132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).