(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride

C16H22BrClN2O — CID 119380404

IUPAC(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-6-4-12(5-7-13)16(8-2-9-16)15(20)19-10-1-3-14(18)11-19;/h4-7,14H,1-3,8-11,18H2;1H
InChIKeyUVWATQPNAYWMHU-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.24
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride (PubChem CID 119380404) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
PubChem CID119380404
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-6-4-12(5-7-13)16(8-2-9-16)15(20)19-10-1-3-14(18)11-19;/h4-7,14H,1-3,8-11,18H2;1H
InChIKeyUVWATQPNAYWMHU-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
N-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 55679047
[(3S)-3-aminopiperidin-1-yl]-[4-(3-bromophenyl)oxan-4-yl]methanone
CID 124593829
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
CID 75495859
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride (CID 119380404) is (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride?
The InChIKey is UVWATQPNAYWMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-13-6-4-12(5-7-13)16(8-2-9-16)15(20)19-10-1-3-14(18)11-19;/h4-7,14H,1-3,8-11,18H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride is sourced from PubChem (CID 119380404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).