2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone

C17H27N3O2 — CID 120836001

IUPAC2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCCc1cc(OC)ccc1CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C17H27N3O2/c1-4-14-11-16(22-3)6-5-15(14)12-19(2)13-17(21)20-9-7-18-8-10-20/h5-6,11,18H,4,7-10,12-13H2,1-3H3
InChIKeyBEJIBEXVGQVHAK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.12
Rot. Bonds6

About 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone

2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 120836001) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID120836001
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCCc1cc(OC)ccc1CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C17H27N3O2/c1-4-14-11-16(22-3)6-5-15(14)12-19(2)13-17(21)20-9-7-18-8-10-20/h5-6,11,18H,4,7-10,12-13H2,1-3H3
InChIKeyBEJIBEXVGQVHAK-UHFFFAOYSA-N
XLogP1.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8676266
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
2-[(2-ethyl-6-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835994

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone (CID 120836001) is 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone is CCc1cc(OC)ccc1CN(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is BEJIBEXVGQVHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-14-11-16(22-3)6-5-15(14)12-19(2)13-17(21)20-9-7-18-8-10-20/h5-6,11,18H,4,7-10,12-13H2,1-3H3.
What are the key properties of 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 305.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 120836001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).