2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide

C17H24FN3O2 — CID 70757054

IUPAC2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C17H24FN3O2/c1-4-5-6-15-16(22)20(3)9-10-21(15)17(23)19-14-11-13(18)8-7-12(14)2/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,19,23)
InChIKeyWZTVUEXFSQYCKG-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.00
Rot. Bonds4

About 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide

2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 70757054) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
PubChem CID70757054
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C17H24FN3O2/c1-4-5-6-15-16(22)20(3)9-10-21(15)17(23)19-14-11-13(18)8-7-12(14)2/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,19,23)
InChIKeyWZTVUEXFSQYCKG-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
(2S)-2-butyl-4-methyl-N-(4-methylsulfonylphenyl)-3-oxopiperazine-1-carboxamide
CID 97435864
4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
CID 70724503
(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 125174632
2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 119066017
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875
2-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 46985100
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97434325

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide (CID 70757054) is 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide is CCCCC1C(=O)N(C)CCN1C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is WZTVUEXFSQYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-4-5-6-15-16(22)20(3)9-10-21(15)17(23)19-14-11-13(18)8-7-12(14)2/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 70757054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).