2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one

C18H26N2O2 — CID 110365362

IUPAC2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C18H26N2O2/c1-4-15(5-2)17(21)19-10-12-20(13-11-19)18(22)16-9-7-6-8-14(16)3/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyBQIOGXZJGYFUTP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.72
Rot. Bonds4

About 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one

2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 110365362) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
PubChem CID110365362
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C18H26N2O2/c1-4-15(5-2)17(21)19-10-12-20(13-11-19)18(22)16-9-7-6-8-14(16)3/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyBQIOGXZJGYFUTP-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]butan-1-one
CID 108536569
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
2-[4-(2-methylbenzoyl)piperazin-1-yl]butanethioamide
CID 63340347
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110801802
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 80660248

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one (CID 110365362) is 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is BQIOGXZJGYFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-15(5-2)17(21)19-10-12-20(13-11-19)18(22)16-9-7-6-8-14(16)3/h6-9,15H,4-5,10-13H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110365362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).