3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide

C18H21N3O — CID 46883473

IUPAC3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2ccncc2)C1
InChIInChI=1S/C18H21N3O/c1-18(15-6-3-2-4-7-15)10-5-13-21(14-18)17(22)20-16-8-11-19-12-9-16/h2-4,6-9,11-12H,5,10,13-14H2,1H3,(H,19,20,22)
InChIKeyGHVKHDJQMCSVLZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.67
Rot. Bonds2

About 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide

3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide (PubChem CID 46883473) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide
PubChem CID46883473
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2ccncc2)C1
InChIInChI=1S/C18H21N3O/c1-18(15-6-3-2-4-7-15)10-5-13-21(14-18)17(22)20-16-8-11-19-12-9-16/h2-4,6-9,11-12H,5,10,13-14H2,1H3,(H,19,20,22)
InChIKeyGHVKHDJQMCSVLZ-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide (CID 46883473) is 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)Nc2ccncc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide?
The InChIKey is GHVKHDJQMCSVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(15-6-3-2-4-7-15)10-5-13-21(14-18)17(22)20-16-8-11-19-12-9-16/h2-4,6-9,11-12H,5,10,13-14H2,1H3,(H,19,20,22).
What are the key properties of 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide?
3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46883473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).