N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide

C27H29N3O2 — CID 92620703

IUPACN-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C27H29N3O2/c1-20-9-3-5-11-22(20)23-12-6-4-10-21(23)19-27(26(32)28-2)14-17-30(18-15-27)25(31)24-13-7-8-16-29-24/h3-13,16H,14-15,17-19H2,1-2H3,(H,28,32)
InChIKeyOHFIUSWNKBHPSB-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.27
Rot. Bonds5

About N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide

N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 92620703) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
PubChem CID92620703
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C27H29N3O2/c1-20-9-3-5-11-22(20)23-12-6-4-10-21(23)19-27(26(32)28-2)14-17-30(18-15-27)25(31)24-13-7-8-16-29-24/h3-13,16H,14-15,17-19H2,1-2H3,(H,28,32)
InChIKeyOHFIUSWNKBHPSB-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230989
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620700
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
(3S)-N-prop-2-ynyl-1-(pyridine-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92547962
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805527
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
(3S)-N-ethyl-1-(pyridine-2-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592082
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620707
N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083596
(3S)-1-(2-cyclopentylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609711

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide (CID 92620703) is N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is OHFIUSWNKBHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-9-3-5-11-22(20)23-12-6-4-10-21(23)19-27(26(32)28-2)14-17-30(18-15-27)25(31)24-13-7-8-16-29-24/h3-13,16H,14-15,17-19H2,1-2H3,(H,28,32).
What are the key properties of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 92620703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).