4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C28H33N3O — CID 129455813

IUPAC4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C28H33N3O/c1-2-17-30-27(32)28(15-19-31(20-16-28)22-25-13-8-9-18-29-25)21-24-12-6-7-14-26(24)23-10-4-3-5-11-23/h3-14,18H,2,15-17,19-22H2,1H3,(H,30,32)
InChIKeyJONVHKCNXVUYBP-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.10
Rot. Bonds8

About 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 129455813) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID129455813
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C28H33N3O/c1-2-17-30-27(32)28(15-19-31(20-16-28)22-25-13-8-9-18-29-25)21-24-12-6-7-14-26(24)23-10-4-3-5-11-23/h3-14,18H,2,15-17,19-22H2,1H3,(H,30,32)
InChIKeyJONVHKCNXVUYBP-UHFFFAOYSA-N
XLogP5.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 129454899
N-propyl-1-(pyridin-2-ylmethyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083615
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
4-[(2-phenylphenyl)methyl]-N-propylpiperidine-4-carboxamide
CID 66509295
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 129454443
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231726
N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 125010180
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110232771
1-(3,3-dimethylbutanoyl)-N-ethyl-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129459434

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 129455813) is 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JONVHKCNXVUYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-2-17-30-27(32)28(15-19-31(20-16-28)22-25-13-8-9-18-29-25)21-24-12-6-7-14-26(24)23-10-4-3-5-11-23/h3-14,18H,2,15-17,19-22H2,1H3,(H,30,32).
What are the key properties of 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 129455813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).