N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide

C14H19N3O2 — CID 47127479

IUPACN-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-11(18)12-3-5-13(6-4-12)15-14(19)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,15,19)
InChIKeyYSIBORANJHHBEW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.67
Rot. Bonds2

About N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide

N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 47127479) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID47127479
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-11(18)12-3-5-13(6-4-12)15-14(19)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,15,19)
InChIKeyYSIBORANJHHBEW-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone
CID 114468369
N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109653
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108987

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide (CID 47127479) is N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is YSIBORANJHHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)12-3-5-13(6-4-12)15-14(19)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,15,19).
What are the key properties of N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide?
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 47127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).