N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide

C26H28N2O — CID 93487464

IUPACN-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
SMILESCc1ccccc1[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c1-20-10-6-7-13-24(20)25(21-11-4-2-5-12-21)27-26(29)22-14-16-23(17-15-22)28-18-8-3-9-19-28/h2,4-7,10-17,25H,3,8-9,18-19H2,1H3,(H,27,29)/t25-/m1/s1
InChIKeyVNRAXCXIPOWQNA-RUZDIDTESA-N
MW384.52 g/mol
LogP5.50
Rot. Bonds5

About N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide

N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide (PubChem CID 93487464) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
PubChem CID93487464
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
SMILESCc1ccccc1[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c1-20-10-6-7-13-24(20)25(21-11-4-2-5-12-21)27-26(29)22-14-16-23(17-15-22)28-18-8-3-9-19-28/h2,4-7,10-17,25H,3,8-9,18-19H2,1H3,(H,27,29)/t25-/m1/s1
InChIKeyVNRAXCXIPOWQNA-RUZDIDTESA-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-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 28635742
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38017636
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92678214
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
1-[(2-methylphenyl)-phenylmethyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 133215751
N-[(R)-(2-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617006
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide (CID 93487464) is N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide is Cc1ccccc1[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
The InChIKey is VNRAXCXIPOWQNA-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28N2O/c1-20-10-6-7-13-24(20)25(21-11-4-2-5-12-21)27-26(29)22-14-16-23(17-15-22)28-18-8-3-9-19-28/h2,4-7,10-17,25H,3,8-9,18-19H2,1H3,(H,27,29)/t25-/m1/s1.
What are the key properties of N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide?
N-[(R)-(2-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-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 93487464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).