N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C28H33N3O — CID 129360822

IUPACN-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C28H33N3O/c1-29-27(32)28(21-24-11-13-25(14-12-24)26-10-5-17-30-22-26)15-19-31(20-16-28)18-6-9-23-7-3-2-4-8-23/h2-5,7-8,10-14,17,22H,6,9,15-16,18-21H2,1H3,(H,29,32)
InChIKeyKYSVQKGWLNDCDW-UHFFFAOYSA-N
MW427.59 g/mol
LogP4.75
Rot. Bonds8

About N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 129360822) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID129360822
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC NameN-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C28H33N3O/c1-29-27(32)28(21-24-11-13-25(14-12-24)26-10-5-17-30-22-26)15-19-31(20-16-28)18-6-9-23-7-3-2-4-8-23/h2-5,7-8,10-14,17,22H,6,9,15-16,18-21H2,1H3,(H,29,32)
InChIKeyKYSVQKGWLNDCDW-UHFFFAOYSA-N
XLogP4.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 129360822) is N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KYSVQKGWLNDCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-29-27(32)28(21-24-11-13-25(14-12-24)26-10-5-17-30-22-26)15-19-31(20-16-28)18-6-9-23-7-3-2-4-8-23/h2-5,7-8,10-14,17,22H,6,9,15-16,18-21H2,1H3,(H,29,32).
What are the key properties of N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 129360822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).