N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide

C16H19FN2O3 — CID 95317737

IUPACN-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C16H19FN2O3/c17-12-2-1-3-13(10-12)18-15(20)11-4-7-19(8-5-11)14-6-9-22-16(14)21/h1-3,10-11,14H,4-9H2,(H,18,20)/t14-/m1/s1
InChIKeyPLXKKYIUKSJNHS-CQSZACIVSA-N
MW306.34 g/mol
LogP1.79
Rot. Bonds3

About N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide

N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide (PubChem CID 95317737) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
PubChem CID95317737
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC NameN-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C16H19FN2O3/c17-12-2-1-3-13(10-12)18-15(20)11-4-7-19(8-5-11)14-6-9-22-16(14)21/h1-3,10-11,14H,4-9H2,(H,18,20)/t14-/m1/s1
InChIKeyPLXKKYIUKSJNHS-CQSZACIVSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
CID 52514973
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46381335
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide (CID 95317737) is N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCOC2=O)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is PLXKKYIUKSJNHS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-12-2-1-3-13(10-12)18-15(20)11-4-7-19(8-5-11)14-6-9-22-16(14)21/h1-3,10-11,14H,4-9H2,(H,18,20)/t14-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95317737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).