3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C15H30ClN3O — CID 120980296

IUPAC3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCN(CCC(=O)N1CCNCC1)C1CCCCC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-2-17(14-6-4-3-5-7-14)11-8-15(19)18-12-9-16-10-13-18;/h14,16H,2-13H2,1H3;1H
InChIKeyGJNBMPPQNZTOCQ-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.88
Rot. Bonds5

About 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980296) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980296
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC Name3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCN(CCC(=O)N1CCNCC1)C1CCCCC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-2-17(14-6-4-3-5-7-14)11-8-15(19)18-12-9-16-10-13-18;/h14,16H,2-13H2,1H3;1H
InChIKeyGJNBMPPQNZTOCQ-UHFFFAOYSA-N
XLogP1.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981560
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 111114274
N-cyclohexyl-N-ethyl-2-oxo-2-piperazin-1-ylacetamide
CID 43145099
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013810
3-[(1,1-dioxothiolan-3-yl)-propylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980404
3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980934
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980296) is 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CCN(CCC(=O)N1CCNCC1)C1CCCCC1.Cl.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is GJNBMPPQNZTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-2-17(14-6-4-3-5-7-14)11-8-15(19)18-12-9-16-10-13-18;/h14,16H,2-13H2,1H3;1H.
What are the key properties of 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).