3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride

C17H34Cl2N4O — CID 120982571

IUPAC3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCN(C2CCCC2)CC1)N1CCNCC1
InChIInChI=1S/C17H32N4O.2ClH/c22-17(21-12-7-18-8-13-21)6-11-19-9-3-10-20(15-14-19)16-4-1-2-5-16;;/h16,18H,1-15H2;2*1H
InChIKeyBOFLHLVZEMZWJO-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.60
Rot. Bonds4

About 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982571) has the molecular formula C17H34Cl2N4O and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982571
Molecular FormulaC17H34Cl2N4O
Molecular Weight381.39 g/mol
Exact Mass380.21
IUPAC Name3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCN(C2CCCC2)CC1)N1CCNCC1
InChIInChI=1S/C17H32N4O.2ClH/c22-17(21-12-7-18-8-13-21)6-11-19-9-3-10-20(15-14-19)16-4-1-2-5-16;;/h16,18H,1-15H2;2*1H
InChIKeyBOFLHLVZEMZWJO-UHFFFAOYSA-N
XLogP1.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride with MolForge

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-piperazin-1-ylpropan-1-one
CID 79932789
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 79937729
methyl 2-[1-[3-(4-piperidin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]oxyacetate;trihydrochloride
CID 67598531
3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 174385756
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
N-cyclohexyl-3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 67762492

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982571) is 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCCN(C2CCCC2)CC1)N1CCNCC1.
What is the InChIKey of 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is BOFLHLVZEMZWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O.2ClH/c22-17(21-12-7-18-8-13-21)6-11-19-9-3-10-20(15-14-19)16-4-1-2-5-16;;/h16,18H,1-15H2;2*1H.
What are the key properties of 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 381.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).