(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

C17H23FN2O3 — CID 99854160

IUPAC(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1F
InChIInChI=1S/C17H23FN2O3/c1-12-5-3-7-14(15(12)18)19-16(21)20-8-4-6-13(11-20)17(2)22-9-10-23-17/h3,5,7,13H,4,6,8-11H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyASRAUIOHYGRUOC-ZDUSSCGKSA-N
MW322.38 g/mol
LogP3.14
Rot. Bonds2

About (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 99854160) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID99854160
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1F
InChIInChI=1S/C17H23FN2O3/c1-12-5-3-7-14(15(12)18)19-16(21)20-8-4-6-13(11-20)17(2)22-9-10-23-17/h3,5,7,13H,4,6,8-11H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyASRAUIOHYGRUOC-ZDUSSCGKSA-N
XLogP3.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351555
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97350912
N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75477048
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
CID 99854051
(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351101
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 99854160) is (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1F.
What is the InChIKey of (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is ASRAUIOHYGRUOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12-5-3-7-14(15(12)18)19-16(21)20-8-4-6-13(11-20)17(2)22-9-10-23-17/h3,5,7,13H,4,6,8-11H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99854160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).