2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride

C19H36Cl2N4O2 — CID 119879435

IUPAC2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)C3CCC(N)C3)CC2)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-2-21-9-11-22(12-10-21)18(24)13-15-5-7-23(8-6-15)19(25)16-3-4-17(20)14-16;;/h15-17H,2-14,20H2,1H3;2*1H
InChIKeyKVXGOEWFSVKOQJ-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.75
Rot. Bonds4

About 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride

2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 119879435) has the molecular formula C19H36Cl2N4O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID119879435
Molecular FormulaC19H36Cl2N4O2
Molecular Weight423.43 g/mol
Exact Mass422.22
IUPAC Name2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)C3CCC(N)C3)CC2)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-2-21-9-11-22(12-10-21)18(24)13-15-5-7-23(8-6-15)19(25)16-3-4-17(20)14-16;;/h15-17H,2-14,20H2,1H3;2*1H
InChIKeyKVXGOEWFSVKOQJ-UHFFFAOYSA-N
XLogP1.75
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
CID 119879448
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride (CID 119879435) is 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride is CCN1CCN(C(=O)CC2CCN(C(=O)C3CCC(N)C3)CC2)CC1.Cl.Cl.
What is the InChIKey of 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is KVXGOEWFSVKOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.2ClH/c1-2-21-9-11-22(12-10-21)18(24)13-15-5-7-23(8-6-15)19(25)16-3-4-17(20)14-16;;/h15-17H,2-14,20H2,1H3;2*1H.
What are the key properties of 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).