2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride

C19H36ClN3O2 — CID 119743528

IUPAC2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-3-11-19(2,20)18(24)22-14-12-21(13-15-22)17(23)10-9-16-7-5-4-6-8-16;/h16H,3-15,20H2,1-2H3;1H
InChIKeyVPKPUSDBIBLJKU-UHFFFAOYSA-N
MW373.97 g/mol
LogP2.96
Rot. Bonds6

About 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride

2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride (PubChem CID 119743528) has the molecular formula C19H36ClN3O2 and a molecular weight of 373.97 g/mol. Its IUPAC name is 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
PubChem CID119743528
Molecular FormulaC19H36ClN3O2
Molecular Weight373.97 g/mol
Exact Mass373.25
IUPAC Name2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-3-11-19(2,20)18(24)22-14-12-21(13-15-22)17(23)10-9-16-7-5-4-6-8-16;/h16H,3-15,20H2,1-2H3;1H
InChIKeyVPKPUSDBIBLJKU-UHFFFAOYSA-N
XLogP2.96
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride (CID 119743528) is 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
The InChIKey is VPKPUSDBIBLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2.ClH/c1-3-11-19(2,20)18(24)22-14-12-21(13-15-22)17(23)10-9-16-7-5-4-6-8-16;/h16H,3-15,20H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119743528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).