1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride

C15H28ClN3O2 — CID 119269732

IUPAC1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-12(2)13(19)17-8-10-18(11-9-17)14(20)15(16)6-4-3-5-7-15;/h12H,3-11,16H2,1-2H3;1H
InChIKeyAZBWQNRYRIUGHC-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.40
Rot. Bonds2

About 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride

1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride (PubChem CID 119269732) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
PubChem CID119269732
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-12(2)13(19)17-8-10-18(11-9-17)14(20)15(16)6-4-3-5-7-15;/h12H,3-11,16H2,1-2H3;1H
InChIKeyAZBWQNRYRIUGHC-UHFFFAOYSA-N
XLogP1.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one;hydrochloride
CID 119331022
(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62930739
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514
(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119326965
4-(1-aminocyclopentanecarbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964289
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]propanoic acid
CID 81168786
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119335089
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119833997
(1-aminocyclohexyl)-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119343297

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride (CID 119269732) is 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)N1CCN(C(=O)C2(N)CCCCC2)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is AZBWQNRYRIUGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-12(2)13(19)17-8-10-18(11-9-17)14(20)15(16)6-4-3-5-7-15;/h12H,3-11,16H2,1-2H3;1H.
What are the key properties of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119269732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).