(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

C15H29N3O — CID 81172457

IUPAC(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-3-17(4-2)12-13-6-10-18(11-7-13)14(19)15(16)8-5-9-15/h13H,3-12,16H2,1-2H3
InChIKeyUREPXUWPDBNIJS-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds5

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

(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 81172457) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
PubChem CID81172457
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-3-17(4-2)12-13-6-10-18(11-7-13)14(19)15(16)8-5-9-15/h13H,3-12,16H2,1-2H3
InChIKeyUREPXUWPDBNIJS-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

(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
CID 119894837
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
1-(1-aminocyclobutanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 81172132
N-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]propanamide
CID 81173098
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (CID 81172457) is (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is CCN(CC)CC1CCN(C(=O)C2(N)CCC2)CC1.
What is the InChIKey of (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is UREPXUWPDBNIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-17(4-2)12-13-6-10-18(11-7-13)14(19)15(16)8-5-9-15/h13H,3-12,16H2,1-2H3.
What are the key properties of (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone 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 (1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 81172457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).