N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

C28H31N3O2 — CID 110232469

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

About N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 110232469) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
PubChem CID110232469
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c1-30(2)27(33)28(20-22-12-14-24(15-13-22)23-9-4-3-5-10-23)16-8-18-31(21-28)26(32)19-25-11-6-7-17-29-25/h3-7,9-15,17H,8,16,18-21H2,1-2H3
InChIKeyDNPIJFXJGLTMPC-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-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 92591973
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604934
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
(3S)-N,N-dimethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92562921
(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552144
N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231344
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide (CID 110232469) is N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide is CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is DNPIJFXJGLTMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-30(2)27(33)28(20-22-12-14-24(15-13-22)23-9-4-3-5-10-23)16-8-18-31(21-28)26(32)19-25-11-6-7-17-29-25/h3-7,9-15,17H,8,16,18-21H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-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-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110232469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).