1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide

C21H26N2O — CID 99970769

IUPAC1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1
InChIInChI=1S/C21H26N2O/c1-16-7-6-10-19(15-16)20(17-8-4-3-5-9-17)22-21(24)18-11-13-23(2)14-12-18/h3-10,15,18,20H,11-14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyFIPRAUWFAKKNHL-HXUWFJFHSA-N
MW322.45 g/mol
LogP3.54
Rot. Bonds4

About 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide

1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 99970769) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID99970769
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1
InChIInChI=1S/C21H26N2O/c1-16-7-6-10-19(15-16)20(17-8-4-3-5-9-17)22-21(24)18-11-13-23(2)14-12-18/h3-10,15,18,20H,11-14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyFIPRAUWFAKKNHL-HXUWFJFHSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 119338864
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071827
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43927863
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
CID 51189650
1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43916659
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554601
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(S)-(3-methylphenyl)-phenylmethyl]carbamate
CID 90213811

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide (CID 99970769) is 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide is Cc1cccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1.
What is the InChIKey of 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is FIPRAUWFAKKNHL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-7-6-10-19(15-16)20(17-8-4-3-5-9-17)22-21(24)18-11-13-23(2)14-12-18/h3-10,15,18,20H,11-14H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 99970769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).