(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide

C15H19FN2O3 — CID 99828110

IUPAC(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(F)cc1OCC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H19FN2O3/c1-10-4-5-12(16)7-13(10)21-9-14(19)18-6-2-3-11(8-18)15(17)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyOKRLEDAXSAKTEL-NSHDSACASA-N
MW294.33 g/mol
LogP1.24
Rot. Bonds4

About (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide (PubChem CID 99828110) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
PubChem CID99828110
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(F)cc1OCC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H19FN2O3/c1-10-4-5-12(16)7-13(10)21-9-14(19)18-6-2-3-11(8-18)15(17)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyOKRLEDAXSAKTEL-NSHDSACASA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
CID 9406362
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335249
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492472
(3S)-1-[2-(3-methyl-4-nitrophenoxy)acetyl]piperidine-3-carboxamide
CID 8647924
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 90608788
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9333491
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
2-(2,4-difluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489358

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide (CID 99828110) is (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide is Cc1ccc(F)cc1OCC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide?
The InChIKey is OKRLEDAXSAKTEL-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-4-5-12(16)7-13(10)21-9-14(19)18-6-2-3-11(8-18)15(17)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 99828110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).