(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C13H15FN2O2 — CID 68704612

IUPAC(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c14-11-5-3-9(4-6-11)13(18)16-7-1-2-10(8-16)12(15)17/h3-6,10H,1-2,7-8H2,(H2,15,17)/t10-/m0/s1
InChIKeyDSGAPDNBKQNJDC-JTQLQIEISA-N
MW250.27 g/mol
LogP1.16
Rot. Bonds2

About (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 68704612) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID68704612
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c14-11-5-3-9(4-6-11)13(18)16-7-1-2-10(8-16)12(15)17/h3-6,10H,1-2,7-8H2,(H2,15,17)/t10-/m0/s1
InChIKeyDSGAPDNBKQNJDC-JTQLQIEISA-N
XLogP1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 68704612) is (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is DSGAPDNBKQNJDC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-5-3-9(4-6-11)13(18)16-7-1-2-10(8-16)12(15)17/h3-6,10H,1-2,7-8H2,(H2,15,17)/t10-/m0/s1.
What are the key properties of (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 68704612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).