1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride

C19H29ClN2O2 — CID 119381224

IUPAC1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1
InChIInChI=1S/C19H28N2O2.ClH/c20-16-6-4-12-21(14-16)19(22)11-10-15-5-3-9-18(13-15)23-17-7-1-2-8-17;/h3,5,9,13,16-17H,1-2,4,6-8,10-12,14,20H2;1H
InChIKeyZPDWENRSRZQHRB-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride (PubChem CID 119381224) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
PubChem CID119381224
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1
InChIInChI=1S/C19H28N2O2.ClH/c20-16-6-4-12-21(14-16)19(22)11-10-15-5-3-9-18(13-15)23-17-7-1-2-8-17;/h3,5,9,13,16-17H,1-2,4,6-8,10-12,14,20H2;1H
InChIKeyZPDWENRSRZQHRB-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580262
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119469306
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride (CID 119381224) is 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride is Cl.NC1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
The InChIKey is ZPDWENRSRZQHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c20-16-6-4-12-21(14-16)19(22)11-10-15-5-3-9-18(13-15)23-17-7-1-2-8-17;/h3,5,9,13,16-17H,1-2,4,6-8,10-12,14,20H2;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 119381224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).