N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide

C26H28N2O — CID 28635742

IUPACN-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-20-10-12-22(13-11-20)25(21-8-4-2-5-9-21)27-26(29)23-14-16-24(17-15-23)28-18-6-3-7-19-28/h2,4-5,8-17,25H,3,6-7,18-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyLPEKOCVVMKZOOF-VWLOTQADSA-N
MW384.52 g/mol
LogP5.50
Rot. Bonds5

About N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide

N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide (PubChem CID 28635742) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
PubChem CID28635742
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-20-10-12-22(13-11-20)25(21-8-4-2-5-9-21)27-26(29)23-14-16-24(17-15-23)28-18-6-3-7-19-28/h2,4-5,8-17,25H,3,6-7,18-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyLPEKOCVVMKZOOF-VWLOTQADSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 133189694
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide (CID 28635742) is N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide is Cc1ccc([C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
The InChIKey is LPEKOCVVMKZOOF-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O/c1-20-10-12-22(13-11-20)25(21-8-4-2-5-9-21)27-26(29)23-14-16-24(17-15-23)28-18-6-3-7-19-28/h2,4-5,8-17,25H,3,6-7,18-19H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide has a molecular weight of 384.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 28635742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).