N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide

C14H18FN3O2 — CID 138725981

IUPACN-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide
SMILESCc1cccc(F)c1C(=O)NC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H18FN3O2/c1-10-4-3-5-11(15)12(10)13(19)16-14(20)18-8-6-17(2)7-9-18/h3-5H,6-9H2,1-2H3,(H,16,19,20)
InChIKeyNVTKTYWQQWXVLI-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.23
Rot. Bonds1

About N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide

N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide (PubChem CID 138725981) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide
PubChem CID138725981
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide
SMILESCc1cccc(F)c1C(=O)NC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H18FN3O2/c1-10-4-3-5-11(15)12(10)13(19)16-14(20)18-8-6-17(2)7-9-18/h3-5H,6-9H2,1-2H3,(H,16,19,20)
InChIKeyNVTKTYWQQWXVLI-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-methylbenzoic acid
CID 13478132
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131684380
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
CID 155961191
(4-methylpiperazin-1-yl)-(2,3,6-trifluorophenyl)methanone
CID 171368041
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(3-bromo-2-methylphenyl)-4-methylpiperazine-1-carboxamide
CID 11507872
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
(2,6-difluorobenzoyl)carbamic acid;hydrochloride
CID 70544596

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide (CID 138725981) is N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide is Cc1cccc(F)c1C(=O)NC(=O)N1CCN(C)CC1.
What is the InChIKey of N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is NVTKTYWQQWXVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10-4-3-5-11(15)12(10)13(19)16-14(20)18-8-6-17(2)7-9-18/h3-5H,6-9H2,1-2H3,(H,16,19,20).
What are the key properties of N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide?
N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 138725981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).