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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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).