1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C16H22FN3O2 — CID 9443641

IUPAC1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H22FN3O2/c1-10-3-4-13(9-14(10)17)19-16(22)11(2)20-7-5-12(6-8-20)15(18)21/h3-4,9,11-12H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/t11-/m0/s1
InChIKeyCIUYMGPQSPOECA-NSHDSACASA-N
MW307.37 g/mol
LogP1.66
Rot. Bonds4

About 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 9443641) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID9443641
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H22FN3O2/c1-10-3-4-13(9-14(10)17)19-16(22)11(2)20-7-5-12(6-8-20)15(18)21/h3-4,9,11-12H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/t11-/m0/s1
InChIKeyCIUYMGPQSPOECA-NSHDSACASA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
ethyl N-[1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 52505479
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
CID 87022050
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
CID 95326426
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 9443641) is 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)cc1F.
What is the InChIKey of 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is CIUYMGPQSPOECA-NSHDSACASA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-10-3-4-13(9-14(10)17)19-16(22)11(2)20-7-5-12(6-8-20)15(18)21/h3-4,9,11-12H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9443641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).