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

C17H25ClN2O2 — CID 119765253

IUPAC(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1
InChIInChI=1S/C17H24N2O2.ClH/c18-14-5-3-4-13(12-14)17(20)19-10-8-16(9-11-19)21-15-6-1-2-7-15;/h3-5,12,15-16H,1-2,6-11,18H2;1H
InChIKeyPSSYISXOYHKZIL-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.25
Rot. Bonds3

About (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride

(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 119765253) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
PubChem CID119765253
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1
InChIInChI=1S/C17H24N2O2.ClH/c18-14-5-3-4-13(12-14)17(20)19-10-8-16(9-11-19)21-15-6-1-2-7-15;/h3-5,12,15-16H,1-2,6-11,18H2;1H
InChIKeyPSSYISXOYHKZIL-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

(3-aminophenyl)-(4-propoxyazepan-1-yl)methanone;hydrochloride
CID 119780021
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-aminophenyl)methanone;hydrochloride
CID 119788128
[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 126777259
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride (CID 119765253) is (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1.
What is the InChIKey of (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is PSSYISXOYHKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c18-14-5-3-4-13(12-14)17(20)19-10-8-16(9-11-19)21-15-6-1-2-7-15;/h3-5,12,15-16H,1-2,6-11,18H2;1H.
What are the key properties of (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride?
(3-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 (3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119765253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).