(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride

C17H25ClN2O2 — CID 119945190

IUPAC(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1ccccc1C(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C17H24N2O2.ClH/c18-16-8-4-3-7-15(16)17(20)19-11-9-14(10-12-19)21-13-5-1-2-6-13;/h3-4,7-8,13-14H,1-2,5-6,9-12,18H2;1H
InChIKeySXPXWBBZNINLSM-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.25
Rot. Bonds3

About (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride

(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 119945190) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
PubChem CID119945190
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1ccccc1C(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C17H24N2O2.ClH/c18-16-8-4-3-7-15(16)17(20)19-11-9-14(10-12-19)21-13-5-1-2-6-13;/h3-4,7-8,13-14H,1-2,5-6,9-12,18H2;1H
InChIKeySXPXWBBZNINLSM-UHFFFAOYSA-N
XLogP3.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.25
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-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-aminophenyl)methanone
CID 28819844
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119765253
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride (CID 119945190) is (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride is Cl.Nc1ccccc1C(=O)N1CCC(OC2CCCC2)CC1.
What is the InChIKey of (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is SXPXWBBZNINLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c18-16-8-4-3-7-15(16)17(20)19-11-9-14(10-12-19)21-13-5-1-2-6-13;/h3-4,7-8,13-14H,1-2,5-6,9-12,18H2;1H.
What are the key properties of (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119945190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).