(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride

C18H28Cl3N3O2 — CID 119839310

IUPAC(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1
InChIInChI=1S/C18H26ClN3O2.2ClH/c19-16-3-1-2-4-17(16)24-12-11-21-7-9-22(10-8-21)18(23)14-5-6-15(20)13-14;;/h1-4,14-15H,5-13,20H2;2*1H
InChIKeyHBVKKWQKRWBNTR-UHFFFAOYSA-N
MW424.80 g/mol
LogP2.83
Rot. Bonds5

About (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride

(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119839310) has the molecular formula C18H28Cl3N3O2 and a molecular weight of 424.80 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119839310
Molecular FormulaC18H28Cl3N3O2
Molecular Weight424.80 g/mol
Exact Mass423.12
IUPAC Name(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1
InChIInChI=1S/C18H26ClN3O2.2ClH/c19-16-3-1-2-4-17(16)24-12-11-21-7-9-22(10-8-21)18(23)14-5-6-15(20)13-14;;/h1-4,14-15H,5-13,20H2;2*1H
InChIKeyHBVKKWQKRWBNTR-UHFFFAOYSA-N
XLogP2.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119839347
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 33323564
tert-butyl 4-[4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 55490967
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
(3-aminocyclopentyl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119832897
2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119839292
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
(2S)-2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119839368
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride (CID 119839310) is (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1CCC(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is HBVKKWQKRWBNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.2ClH/c19-16-3-1-2-4-17(16)24-12-11-21-7-9-22(10-8-21)18(23)14-5-6-15(20)13-14;;/h1-4,14-15H,5-13,20H2;2*1H.
What are the key properties of (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 424.80 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119839310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).