(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide

C17H24FN3O3 — CID 95322997

IUPAC(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2F)C1
InChIInChI=1S/C17H24FN3O3/c1-11(2)24-14-6-7-16(15(18)9-14)20-17(23)21-8-4-5-13(10-21)19-12(3)22/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyQDAFSJNAGLYFEQ-ZDUSSCGKSA-N
MW337.40 g/mol
LogP2.75
Rot. Bonds4

About (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide

(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide (PubChem CID 95322997) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide
PubChem CID95322997
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2F)C1
InChIInChI=1S/C17H24FN3O3/c1-11(2)24-14-6-7-16(15(18)9-14)20-17(23)21-8-4-5-13(10-21)19-12(3)22/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyQDAFSJNAGLYFEQ-ZDUSSCGKSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
CID 87005926
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide (CID 95322997) is (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide is CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2F)C1.
What is the InChIKey of (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The InChIKey is QDAFSJNAGLYFEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-11(2)24-14-6-7-16(15(18)9-14)20-17(23)21-8-4-5-13(10-21)19-12(3)22/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95322997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).