2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C17H27N3O2 — CID 108993359

IUPAC2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCC(C)NCC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O2/c1-4-14(2)18-13-17(21)20-11-9-19(10-12-20)15-7-5-6-8-16(15)22-3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyAIEBORVFGKHAAT-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.73
Rot. Bonds6

About 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 108993359) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID108993359
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCC(C)NCC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O2/c1-4-14(2)18-13-17(21)20-11-9-19(10-12-20)15-7-5-6-8-16(15)22-3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyAIEBORVFGKHAAT-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159072
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 70091931
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
CID 112994466
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylbutylamino)propan-1-one
CID 109029444
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 108993359) is 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is CCC(C)NCC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is AIEBORVFGKHAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-14(2)18-13-17(21)20-11-9-19(10-12-20)15-7-5-6-8-16(15)22-3/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108993359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).