(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

C19H20FN3O3 — CID 94461778

IUPAC(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O3/c20-15-5-3-13(4-6-15)10-18(25)23-9-1-2-14(12-23)19(26)22-16-11-21-8-7-17(16)24/h3-8,11,14H,1-2,9-10,12H2,(H,21,24)(H,22,26)/t14-/m0/s1
InChIKeyQIKZLDYZHUTPLZ-AWEZNQCLSA-N
MW357.38 g/mol
LogP1.93
Rot. Bonds4

About (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 94461778) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
PubChem CID94461778
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O3/c20-15-5-3-13(4-6-15)10-18(25)23-9-1-2-14(12-23)19(26)22-16-11-21-8-7-17(16)24/h3-8,11,14H,1-2,9-10,12H2,(H,21,24)(H,22,26)/t14-/m0/s1
InChIKeyQIKZLDYZHUTPLZ-AWEZNQCLSA-N
XLogP1.93
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55738740
1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 55644495
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86939589
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55958398
1-[2-(4-fluorophenyl)acetyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 47053189
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide (CID 94461778) is (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide is O=C(Nc1c[nH]ccc1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is QIKZLDYZHUTPLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-5-3-13(4-6-15)10-18(25)23-9-1-2-14(12-23)19(26)22-16-11-21-8-7-17(16)24/h3-8,11,14H,1-2,9-10,12H2,(H,21,24)(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94461778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).