(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide

C15H20FN3O2 — CID 125016909

IUPAC(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2ccc(F)cc2)C[C@H]1C(N)=O
InChIInChI=1S/C15H20FN3O2/c1-10(2)19-8-7-18(9-13(19)14(17)20)15(21)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H2,17,20)/t13-/m0/s1
InChIKeyXDQGOCBSOOWIQY-ZDUSSCGKSA-N
MW293.34 g/mol
LogP0.85
Rot. Bonds3

About (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide

(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 125016909) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID125016909
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2ccc(F)cc2)C[C@H]1C(N)=O
InChIInChI=1S/C15H20FN3O2/c1-10(2)19-8-7-18(9-13(19)14(17)20)15(21)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H2,17,20)/t13-/m0/s1
InChIKeyXDQGOCBSOOWIQY-ZDUSSCGKSA-N
XLogP0.85
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086124
(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 95811305
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 124999111
[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 126434019
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282099
(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 139364476
(4-fluorophenyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 139364672

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide (CID 125016909) is (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)c2ccc(F)cc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is XDQGOCBSOOWIQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(2)19-8-7-18(9-13(19)14(17)20)15(21)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H2,17,20)/t13-/m0/s1.
What are the key properties of (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide?
(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 125016909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).