2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

C13H24N2O — CID 103806634

IUPAC2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-10-12-5-7-15(8-6-12)13(16)9-11-3-2-4-11/h11-12,14H,2-10H2,1H3
InChIKeyKJTOELVJOKZQFR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds4

About 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 103806634) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID103806634
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-10-12-5-7-15(8-6-12)13(16)9-11-3-2-4-11/h11-12,14H,2-10H2,1H3
InChIKeyKJTOELVJOKZQFR-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
2-(1,1-dioxothiolan-3-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63250693
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
2-cyclobutyl-1-[4-(ethylamino)piperidin-1-yl]ethanone
CID 103161305
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (CID 103806634) is 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCN(C(=O)CC2CCC2)CC1.
What is the InChIKey of 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is KJTOELVJOKZQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-10-12-5-7-15(8-6-12)13(16)9-11-3-2-4-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 103806634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).