2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

C15H29N3O — CID 79854884

IUPAC2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCC(C)CCN1CCN(C(=O)CC2(N)CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)4-7-17-8-10-18(11-9-17)14(19)12-15(16)5-3-6-15/h13H,3-12,16H2,1-2H3
InChIKeyKVZQICYAPXIMHE-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds5

About 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone (PubChem CID 79854884) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
PubChem CID79854884
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCC(C)CCN1CCN(C(=O)CC2(N)CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)4-7-17-8-10-18(11-9-17)14(19)12-15(16)5-3-6-15/h13H,3-12,16H2,1-2H3
InChIKeyKVZQICYAPXIMHE-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
CID 64677360
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 79844053
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 115437590
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone (CID 79854884) is 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone is CC(C)CCN1CCN(C(=O)CC2(N)CCC2)CC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The InChIKey is KVZQICYAPXIMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)4-7-17-8-10-18(11-9-17)14(19)12-15(16)5-3-6-15/h13H,3-12,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 79854884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).