(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride

C16H25Cl2N3O — CID 119946429

IUPAC(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H23N3O.2ClH/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13;;/h3-4,7-8,13H,1-2,5-6,9-12,17H2;2*1H
InChIKeyMDFMYNAQJVRZOS-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.81
Rot. Bonds2

About (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride

(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119946429) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119946429
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H23N3O.2ClH/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13;;/h3-4,7-8,13H,1-2,5-6,9-12,17H2;2*1H
InChIKeyMDFMYNAQJVRZOS-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61115004
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-aminophenyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119946751
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
CID 55583894

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride (CID 119946429) is (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is MDFMYNAQJVRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13;;/h3-4,7-8,13H,1-2,5-6,9-12,17H2;2*1H.
What are the key properties of (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride?
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119946429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).