2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

C16H23N3O2 — CID 79843787

IUPAC2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESNC1(CC(=O)N2CCN(c3ccccc3O)CC2)CCC1
InChIInChI=1S/C16H23N3O2/c17-16(6-3-7-16)12-15(21)19-10-8-18(9-11-19)13-4-1-2-5-14(13)20/h1-2,4-5,20H,3,6-12,17H2
InChIKeyWXMKIICYEHURKX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 79843787) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID79843787
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESNC1(CC(=O)N2CCN(c3ccccc3O)CC2)CCC1
InChIInChI=1S/C16H23N3O2/c17-16(6-3-7-16)12-15(21)19-10-8-18(9-11-19)13-4-1-2-5-14(13)20/h1-2,4-5,20H,3,6-12,17H2
InChIKeyWXMKIICYEHURKX-UHFFFAOYSA-N
XLogP1.31
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
CID 75495951
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 91659714
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816
2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 79844040
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
[1-(4-bromophenyl)cyclobutyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 112812751
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
4-(fluoromethyl)-1-(2-hydroxyphenyl)piperidine-4-carboxylic acid
CID 115055612

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 79843787) is 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is NC1(CC(=O)N2CCN(c3ccccc3O)CC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is WXMKIICYEHURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(6-3-7-16)12-15(21)19-10-8-18(9-11-19)13-4-1-2-5-14(13)20/h1-2,4-5,20H,3,6-12,17H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 79843787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).