1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C23H28FN3O3 — CID 172660412

IUPAC1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H28FN3O3/c1-16-8-13-27(19-6-4-17(24)5-7-19)23(29)21(16)22(28)25-18-9-11-26(12-10-18)15-20-3-2-14-30-20/h4-8,13,18,20H,2-3,9-12,14-15H2,1H3,(H,25,28)
InChIKeyGOMWYAMGTBNSDY-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 172660412) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID172660412
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H28FN3O3/c1-16-8-13-27(19-6-4-17(24)5-7-19)23(29)21(16)22(28)25-18-9-11-26(12-10-18)15-20-3-2-14-30-20/h4-8,13,18,20H,2-3,9-12,14-15H2,1H3,(H,25,28)
InChIKeyGOMWYAMGTBNSDY-UHFFFAOYSA-N
XLogP2.66
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172664709
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 172659304
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70729452
1-(4-fluorophenyl)-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172672595

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 172660412) is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GOMWYAMGTBNSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16-8-13-27(19-6-4-17(24)5-7-19)23(29)21(16)22(28)25-18-9-11-26(12-10-18)15-20-3-2-14-30-20/h4-8,13,18,20H,2-3,9-12,14-15H2,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 172660412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).