(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C12H23N3O — CID 81168310

IUPAC(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C12H23N3O/c1-14(2)10-5-3-8-15(9-10)11(16)12(13)6-4-7-12/h10H,3-9,13H2,1-2H3
InChIKeyXQZDJOANQFQXPE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

About (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 81168310) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID81168310
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C12H23N3O/c1-14(2)10-5-3-8-15(9-10)11(16)12(13)6-4-7-12/h10H,3-9,13H2,1-2H3
InChIKeyXQZDJOANQFQXPE-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508
(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222967
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119874483
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80591206
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217407
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
1-(1-aminocyclobutanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 81172132

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 81168310) is (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)C2(N)CCC2)C1.
What is the InChIKey of (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is XQZDJOANQFQXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(2)10-5-3-8-15(9-10)11(16)12(13)6-4-7-12/h10H,3-9,13H2,1-2H3.
What are the key properties of (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 81168310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).