1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C28H33N3O — CID 129460090

IUPAC1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H33N3O/c1-22(2)30-27(32)28(14-17-31(18-15-28)21-24-7-4-3-5-8-24)19-23-10-12-25(13-11-23)26-9-6-16-29-20-26/h3-13,16,20,22H,14-15,17-19,21H2,1-2H3,(H,30,32)
InChIKeyZRSQDHMTYJAADT-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.10
Rot. Bonds7

About 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 129460090) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID129460090
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H33N3O/c1-22(2)30-27(32)28(14-17-31(18-15-28)21-24-7-4-3-5-8-24)19-23-10-12-25(13-11-23)26-9-6-16-29-20-26/h3-13,16,20,22H,14-15,17-19,21H2,1-2H3,(H,30,32)
InChIKeyZRSQDHMTYJAADT-UHFFFAOYSA-N
XLogP5.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
(3R)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579911
(3S)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579910
1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083745
1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124968901
(3R)-3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 92579849
(3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579692
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580032
1-(3-methylbutanoyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231367
(3R)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579999
N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360822

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 129460090) is 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZRSQDHMTYJAADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-22(2)30-27(32)28(14-17-31(18-15-28)21-24-7-4-3-5-8-24)19-23-10-12-25(13-11-23)26-9-6-16-29-20-26/h3-13,16,20,22H,14-15,17-19,21H2,1-2H3,(H,30,32).
What are the key properties of 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 129460090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).