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

C28H33N3O — CID 95805544

IUPAC1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H33N3O/c1-22(2)30-27(32)28(14-17-31(18-15-28)21-23-9-4-3-5-10-23)19-24-11-6-7-13-26(24)25-12-8-16-29-20-25/h3-13,16,20,22H,14-15,17-19,21H2,1-2H3,(H,30,32)
InChIKeyNWDPYSQPOZHFJJ-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.10
Rot. Bonds7

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

1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805544) 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-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID95805544
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H33N3O/c1-22(2)30-27(32)28(14-17-31(18-15-28)21-23-9-4-3-5-10-23)19-24-11-6-7-13-26(24)25-12-8-16-29-20-25/h3-13,16,20,22H,14-15,17-19,21H2,1-2H3,(H,30,32)
InChIKeyNWDPYSQPOZHFJJ-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

(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580032
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 110083648
N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083487
N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231071
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231102
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879
(3R)-1-(3-methylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578913
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805544) is 1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NWDPYSQPOZHFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-22(2)30-27(32)28(14-17-31(18-15-28)21-23-9-4-3-5-10-23)19-24-11-6-7-13-26(24)25-12-8-16-29-20-25/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-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-benzyl-N-propan-2-yl-4-[(2-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-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).