(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

C13H25N3O — CID 81172154

IUPAC(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C13H25N3O/c1-15(2)10-11-4-8-16(9-5-11)12(17)13(14)6-3-7-13/h11H,3-10,14H2,1-2H3
InChIKeyFGFSSEZSAADQMT-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds3

About (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 81172154) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID81172154
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C13H25N3O/c1-15(2)10-11-4-8-16(9-5-11)12(17)13(14)6-3-7-13/h11H,3-10,14H2,1-2H3
InChIKeyFGFSSEZSAADQMT-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
1-(1-aminocyclobutanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 81172132
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(1-aminocyclobutyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 81169402
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride
CID 154911945
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 62782730
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959
(3-aminooxolan-3-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 64891765
N-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]propanamide
CID 81173098

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 81172154) is (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCN(C(=O)C2(N)CCC2)CC1.
What is the InChIKey of (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is FGFSSEZSAADQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)10-11-4-8-16(9-5-11)12(17)13(14)6-3-7-13/h11H,3-10,14H2,1-2H3.
What are the key properties of (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 239.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 81172154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).