N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide

C21H26N2O — CID 119338864

IUPACN-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(C(NC(=O)C2CCNCC2)c2cccc(C)c2)c1
InChIInChI=1S/C21H26N2O/c1-15-5-3-7-18(13-15)20(19-8-4-6-16(2)14-19)23-21(24)17-9-11-22-12-10-17/h3-8,13-14,17,20,22H,9-12H2,1-2H3,(H,23,24)
InChIKeyRJHGSGXOUVJHFQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.51
Rot. Bonds4

About N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide

N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 119338864) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID119338864
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(C(NC(=O)C2CCNCC2)c2cccc(C)c2)c1
InChIInChI=1S/C21H26N2O/c1-15-5-3-7-18(13-15)20(19-8-4-6-16(2)14-19)23-21(24)17-9-11-22-12-10-17/h3-8,13-14,17,20,22H,9-12H2,1-2H3,(H,23,24)
InChIKeyRJHGSGXOUVJHFQ-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydrylpiperidine-4-carboxamide
CID 119263888
1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 99970769
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride
CID 154843186
N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119797007
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
CID 119810421
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819

Frequently Asked Questions

What is the IUPAC name of N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 119338864) is N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cccc(C(NC(=O)C2CCNCC2)c2cccc(C)c2)c1.
What is the InChIKey of N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RJHGSGXOUVJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-5-3-7-18(13-15)20(19-8-4-6-16(2)14-19)23-21(24)17-9-11-22-12-10-17/h3-8,13-14,17,20,22H,9-12H2,1-2H3,(H,23,24).
What are the key properties of N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide?
N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119338864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).