1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one

C17H23FN2O2 — CID 118740667

IUPAC1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
SMILESCc1cc(F)ccc1N1CCCC(NC2CCOCC2)C1=O
InChIInChI=1S/C17H23FN2O2/c1-12-11-13(18)4-5-16(12)20-8-2-3-15(17(20)21)19-14-6-9-22-10-7-14/h4-5,11,14-15,19H,2-3,6-10H2,1H3
InChIKeyBMRSZCOPQWNQQC-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one

1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one (PubChem CID 118740667) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
PubChem CID118740667
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
SMILESCc1cc(F)ccc1N1CCCC(NC2CCOCC2)C1=O
InChIInChI=1S/C17H23FN2O2/c1-12-11-13(18)4-5-16(12)20-8-2-3-15(17(20)21)19-14-6-9-22-10-7-14/h4-5,11,14-15,19H,2-3,6-10H2,1H3
InChIKeyBMRSZCOPQWNQQC-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490
(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one
CID 97218828
N-[1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
CID 167751619
3-[(3S)-1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CID 125449544
2-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]-6-methylbenzonitrile
CID 107801583
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide
CID 155958205
(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one
CID 97333005
2-[3-(ethylamino)-2-oxopiperidin-1-yl]-5-fluorobenzonitrile
CID 82685698
3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579720
3-chloro-4-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]benzonitrile
CID 107810414
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one (CID 118740667) is 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one is Cc1cc(F)ccc1N1CCCC(NC2CCOCC2)C1=O.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one?
The InChIKey is BMRSZCOPQWNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-11-13(18)4-5-16(12)20-8-2-3-15(17(20)21)19-14-6-9-22-10-7-14/h4-5,11,14-15,19H,2-3,6-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one?
1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one has a molecular weight of 306.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one is sourced from PubChem (CID 118740667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).