1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride

C17H33Cl2N3O2 — CID 120571341

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride
SMILESCC1NCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1C.Cl.Cl
InChIInChI=1S/C17H31N3O2.2ClH/c1-14-15(2)20(8-7-18-14)16(21)13-17(5-3-4-6-17)19-9-11-22-12-10-19;;/h14-15,18H,3-13H2,1-2H3;2*1H
InChIKeyRRTDTYKBKDDSOM-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.07
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride

1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride (PubChem CID 120571341) has the molecular formula C17H33Cl2N3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride
PubChem CID120571341
Molecular FormulaC17H33Cl2N3O2
Molecular Weight382.38 g/mol
Exact Mass381.19
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride
SMILESCC1NCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1C.Cl.Cl
InChIInChI=1S/C17H31N3O2.2ClH/c1-14-15(2)20(8-7-18-14)16(21)13-17(5-3-4-6-17)19-9-11-22-12-10-19;;/h14-15,18H,3-13H2,1-2H3;2*1H
InChIKeyRRTDTYKBKDDSOM-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
CID 120572720
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 120740827
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 154741387
1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 119488084
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120570205
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120570290
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride
CID 120571118

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride (CID 120571341) is 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride is CC1NCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1C.Cl.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride?
The InChIKey is RRTDTYKBKDDSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.2ClH/c1-14-15(2)20(8-7-18-14)16(21)13-17(5-3-4-6-17)19-9-11-22-12-10-19;;/h14-15,18H,3-13H2,1-2H3;2*1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride has a molecular weight of 382.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride is sourced from PubChem (CID 120571341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).