N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C26H29N3O — CID 110231994

IUPACN-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C26H29N3O/c1-27-25(30)26(15-9-17-29(20-26)19-23-13-7-8-16-28-23)18-22-12-5-6-14-24(22)21-10-3-2-4-11-21/h2-8,10-14,16H,9,15,17-20H2,1H3,(H,27,30)
InChIKeyLYDZMDLMKFTRTA-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.32
Rot. Bonds6

About N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 110231994) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID110231994
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C26H29N3O/c1-27-25(30)26(15-9-17-29(20-26)19-23-13-7-8-16-28-23)18-22-12-5-6-14-24(22)21-10-3-2-4-11-21/h2-8,10-14,16H,9,15,17-20H2,1H3,(H,27,30)
InChIKeyLYDZMDLMKFTRTA-UHFFFAOYSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231726
N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232080
N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 129454899
(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95545248
N-methyl-1-(pyridin-4-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232646
4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 129455813
(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609626
(3S)-1-[(2-fluorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609596
(3S)-1-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92593795
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609418
(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609438

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 110231994) is N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(Cc2ccccn2)C1.
What is the InChIKey of N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LYDZMDLMKFTRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-27-25(30)26(15-9-17-29(20-26)19-23-13-7-8-16-28-23)18-22-12-5-6-14-24(22)21-10-3-2-4-11-21/h2-8,10-14,16H,9,15,17-20H2,1H3,(H,27,30).
What are the key properties of N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110231994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).