4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide

C17H23F2N3O2 — CID 71981437

IUPAC4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)NCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-12(23)21(2)15-6-9-22(10-7-15)17(24)20-8-5-13-11-14(18)3-4-16(13)19/h3-4,11,15H,5-10H2,1-2H3,(H,20,24)
InChIKeyUBHTUOVJHYJCHS-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.16
Rot. Bonds4

About 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide

4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide (PubChem CID 71981437) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide
PubChem CID71981437
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)NCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-12(23)21(2)15-6-9-22(10-7-15)17(24)20-8-5-13-11-14(18)3-4-16(13)19/h3-4,11,15H,5-10H2,1-2H3,(H,20,24)
InChIKeyUBHTUOVJHYJCHS-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Amperozide
CID 73333
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
CID 23646443
(2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4-yl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901491
N-Phenethyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamide
CID 1875372
N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
CID 604036
1-(1-Butanoylpiperidin-4-yl)-3-[4-(3,5-difluorophenyl)cyclohexyl]-1-methylurea
CID 10112931
1-(1-Acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
CID 10155286
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
CID 10272799
1-(1-Acetylpiperidin-4-yl)-3-[4-(3,5-difluorophenyl)cyclohexyl]-1-methylurea
CID 10293988
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-phenethyl-urea
CID 22393378

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide (CID 71981437) is 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide is CC(=O)N(C)C1CCN(C(=O)NCCc2cc(F)ccc2F)CC1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is UBHTUOVJHYJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-12(23)21(2)15-6-9-22(10-7-15)17(24)20-8-5-13-11-14(18)3-4-16(13)19/h3-4,11,15H,5-10H2,1-2H3,(H,20,24).
What are the key properties of 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide?
4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-[2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71981437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).