N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide

C28H31N3O2 — CID 155982870

IUPACN,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C28H31N3O2/c1-30(2)27(33)28(21-22-11-13-24(14-12-22)23-8-4-3-5-9-23)15-18-31(19-16-28)26(32)20-25-10-6-7-17-29-25/h3-14,17H,15-16,18-21H2,1-2H3
InChIKeyBPQGBNIRXPNAMP-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.23
Rot. Bonds6

About N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide

N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 155982870) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
PubChem CID155982870
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C28H31N3O2/c1-30(2)27(33)28(21-22-11-13-24(14-12-22)23-8-4-3-5-9-23)15-18-31(19-16-28)26(32)20-25-10-6-7-17-29-25/h3-14,17H,15-16,18-21H2,1-2H3
InChIKeyBPQGBNIRXPNAMP-UHFFFAOYSA-N
XLogP4.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 95805699
N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231344
(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 92591973
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
CID 155876835
(3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605559
N-ethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 110245826
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604934
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide (CID 155982870) is N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide is CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is BPQGBNIRXPNAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-30(2)27(33)28(21-22-11-13-24(14-12-22)23-8-4-3-5-9-23)15-18-31(19-16-28)26(32)20-25-10-6-7-17-29-25/h3-14,17H,15-16,18-21H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide?
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 155982870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).