(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone

C18H26BrN3O — CID 119894332

IUPAC(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone
SMILESCC(c1ccc(Br)cc1)N1CCN(C(=O)C2CCC(N)C2)CC1
InChIInChI=1S/C18H26BrN3O/c1-13(14-2-5-16(19)6-3-14)21-8-10-22(11-9-21)18(23)15-4-7-17(20)12-15/h2-3,5-6,13,15,17H,4,7-12,20H2,1H3
InChIKeyMFKZVKVGIDERSI-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.78
Rot. Bonds3

About (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone

(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 119894332) has the molecular formula C18H26BrN3O and a molecular weight of 380.33 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID119894332
Molecular FormulaC18H26BrN3O
Molecular Weight380.33 g/mol
Exact Mass379.13
IUPAC Name(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone
SMILESCC(c1ccc(Br)cc1)N1CCN(C(=O)C2CCC(N)C2)CC1
InChIInChI=1S/C18H26BrN3O/c1-13(14-2-5-16(19)6-3-14)21-8-10-22(11-9-21)18(23)15-4-7-17(20)12-15/h2-3,5-6,13,15,17H,4,7-12,20H2,1H3
InChIKeyMFKZVKVGIDERSI-UHFFFAOYSA-N
XLogP2.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43747865
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 66009179
1-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119894341
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(2R)-2-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 124512123
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone (CID 119894332) is (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone is CC(c1ccc(Br)cc1)N1CCN(C(=O)C2CCC(N)C2)CC1.
What is the InChIKey of (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is MFKZVKVGIDERSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O/c1-13(14-2-5-16(19)6-3-14)21-8-10-22(11-9-21)18(23)15-4-7-17(20)12-15/h2-3,5-6,13,15,17H,4,7-12,20H2,1H3.
What are the key properties of (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone?
(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 380.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119894332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).