(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide

C18H18FN3O3 — CID 30162435

IUPAC(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ncccc1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FN3O3/c19-14-7-5-12(6-8-14)18(25)22-10-2-3-13(11-22)17(24)21-16-15(23)4-1-9-20-16/h1,4-9,13,23H,2-3,10-11H2,(H,20,21,24)/t13-/m0/s1
InChIKeyXUQNLMHCNVEMDO-ZDUSSCGKSA-N
MW343.36 g/mol
LogP2.42
Rot. Bonds3

About (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 30162435) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
PubChem CID30162435
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ncccc1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FN3O3/c19-14-7-5-12(6-8-14)18(25)22-10-2-3-13(11-22)17(24)21-16-15(23)4-1-9-20-16/h1,4-9,13,23H,2-3,10-11H2,(H,20,21,24)/t13-/m0/s1
InChIKeyXUQNLMHCNVEMDO-ZDUSSCGKSA-N
XLogP2.42
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162433
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
(3S)-1-(4-fluorobenzoyl)-N-(8-nitroquinolin-5-yl)piperidine-3-carboxamide
CID 99784251
(3S)-N-(2-tert-butylpyrimidin-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 95233341
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 55952573
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide (CID 30162435) is (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ncccc1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is XUQNLMHCNVEMDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-14-7-5-12(6-8-14)18(25)22-10-2-3-13(11-22)17(24)21-16-15(23)4-1-9-20-16/h1,4-9,13,23H,2-3,10-11H2,(H,20,21,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide?
(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 30162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).