(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide

C14H19FN2O — CID 81140928

IUPAC(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-2-17(13-7-3-6-12(15)9-13)14(18)11-5-4-8-16-10-11/h3,6-7,9,11,16H,2,4-5,8,10H2,1H3/t11-/m1/s1
InChIKeyZTJHUYXJWYTFRH-LLVKDONJSA-N
MW250.32 g/mol
LogP2.18
Rot. Bonds3

About (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide

(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide (PubChem CID 81140928) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
PubChem CID81140928
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-2-17(13-7-3-6-12(15)9-13)14(18)11-5-4-8-16-10-11/h3,6-7,9,11,16H,2,4-5,8,10H2,1H3/t11-/m1/s1
InChIKeyZTJHUYXJWYTFRH-LLVKDONJSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
CID 104750265
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119311461
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide (CID 81140928) is (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide is CCN(C(=O)[C@@H]1CCCNC1)c1cccc(F)c1.
What is the InChIKey of (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is ZTJHUYXJWYTFRH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17(13-7-3-6-12(15)9-13)14(18)11-5-4-8-16-10-11/h3,6-7,9,11,16H,2,4-5,8,10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81140928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).