N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide

C18H21N3O2 — CID 75462292

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C18H21N3O2/c1-20-13-16(7-8-17(20)22)19-18(23)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,19,23)
InChIKeyNBQHTLVTWWNYOP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.80
Rot. Bonds2

About N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide (PubChem CID 75462292) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide
PubChem CID75462292
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C18H21N3O2/c1-20-13-16(7-8-17(20)22)19-18(23)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,19,23)
InChIKeyNBQHTLVTWWNYOP-UHFFFAOYSA-N
XLogP2.80
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide (CID 75462292) is N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(c3ccccc3)CC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is NBQHTLVTWWNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-13-16(7-8-17(20)22)19-18(23)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,19,23).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 75462292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).