(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide

C14H17FN2O2 — CID 9068167

IUPAC(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O2/c1-10(18)17-7-3-4-11(9-17)14(19)16-13-6-2-5-12(15)8-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyXGGXMJPTLUQROB-NSHDSACASA-N
MW264.30 g/mol
LogP2.02
Rot. Bonds2

About (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide

(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide (PubChem CID 9068167) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
PubChem CID9068167
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O2/c1-10(18)17-7-3-4-11(9-17)14(19)16-13-6-2-5-12(15)8-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyXGGXMJPTLUQROB-NSHDSACASA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3R)-N-(3-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 41091330
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide (CID 9068167) is (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is XGGXMJPTLUQROB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(18)17-7-3-4-11(9-17)14(19)16-13-6-2-5-12(15)8-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide?
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 9068167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).