2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone

C12H23N3O — CID 81167943

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-5-7-15(8-6-14)11(16)9-12(10-13)3-2-4-12/h2-10,13H2,1H3
InChIKeyTUCIDCDZEVVMLL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds3

About 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 81167943) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID81167943
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-5-7-15(8-6-14)11(16)9-12(10-13)3-2-4-12/h2-10,13H2,1H3
InChIKeyTUCIDCDZEVVMLL-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 81168595
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
CID 81172470
2-[1-(aminomethyl)cyclobutyl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 81168994
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
2-[1-(aminomethyl)cyclobutyl]-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 107219405
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperazine-1-sulfonamide
CID 104677903
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107019465
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
2-[1-(aminomethyl)cyclohexyl]-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 104844472

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone (CID 81167943) is 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is TUCIDCDZEVVMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-5-7-15(8-6-14)11(16)9-12(10-13)3-2-4-12/h2-10,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 81167943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).