(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone

C19H27BrN2O — CID 120818548

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
SMILESCC1(C)CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCC1N
InChIInChI=1S/C19H27BrN2O/c1-18(2)13-22(11-8-16(18)21)17(23)19(9-3-4-10-19)14-6-5-7-15(20)12-14/h5-7,12,16H,3-4,8-11,13,21H2,1-2H3
InChIKeyXNFWAFMZUQFDJZ-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.85
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone (PubChem CID 120818548) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
PubChem CID120818548
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
SMILESCC1(C)CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCC1N
InChIInChI=1S/C19H27BrN2O/c1-18(2)13-22(11-8-16(18)21)17(23)19(9-3-4-10-19)14-6-5-7-15(20)12-14/h5-7,12,16H,3-4,8-11,13,21H2,1-2H3
InChIKeyXNFWAFMZUQFDJZ-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120818399
(3R)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695146
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256916
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
CID 120816629
[1-(3-bromophenyl)cyclopropyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877464
[1-(3-bromophenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 56684688
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
[1-(3-bromophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022790
[(3S)-3-aminopiperidin-1-yl]-[4-(3-bromophenyl)oxan-4-yl]methanone
CID 124593829

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone (CID 120818548) is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone is CC1(C)CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone?
The InChIKey is XNFWAFMZUQFDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O/c1-18(2)13-22(11-8-16(18)21)17(23)19(9-3-4-10-19)14-6-5-7-15(20)12-14/h5-7,12,16H,3-4,8-11,13,21H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone has a molecular weight of 379.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone is sourced from PubChem (CID 120818548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).