N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide

C16H21FN2O3 — CID 99595335

IUPACN-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C16H21FN2O3/c1-10(2)15(21)18-11-5-4-8-19(9-11)16(22)14-12(17)6-3-7-13(14)20/h3,6-7,10-11,20H,4-5,8-9H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyOLFWWJWVOSBZMF-NSHDSACASA-N
MW308.35 g/mol
LogP1.91
Rot. Bonds3

About N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide

N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 99595335) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID99595335
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C16H21FN2O3/c1-10(2)15(21)18-11-5-4-8-19(9-11)16(22)14-12(17)6-3-7-13(14)20/h3,6-7,10-11,20H,4-5,8-9H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyOLFWWJWVOSBZMF-NSHDSACASA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide
CID 136580259
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119494037
(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
N-[[(3S)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95315280
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 104917539
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916531
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641
N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512642

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide (CID 99595335) is N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1.
What is the InChIKey of N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is OLFWWJWVOSBZMF-NSHDSACASA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10(2)15(21)18-11-5-4-8-19(9-11)16(22)14-12(17)6-3-7-13(14)20/h3,6-7,10-11,20H,4-5,8-9H2,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide?
N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 308.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 99595335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).