2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride

C17H32Cl2N4O2 — CID 119833997

IUPAC2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCCC1
InChIInChI=1S/C17H30N4O2.2ClH/c18-17(6-2-1-3-7-17)16(23)21-12-10-19(11-13-21)14-15(22)20-8-4-5-9-20;;/h1-14,18H2;2*1H
InChIKeyQDMDLBQMWZMEMT-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.26
Rot. Bonds3

About 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride

2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride (PubChem CID 119833997) has the molecular formula C17H32Cl2N4O2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
PubChem CID119833997
Molecular FormulaC17H32Cl2N4O2
Molecular Weight395.38 g/mol
Exact Mass394.19
IUPAC Name2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCCC1
InChIInChI=1S/C17H30N4O2.2ClH/c18-17(6-2-1-3-7-17)16(23)21-12-10-19(11-13-21)14-15(22)20-8-4-5-9-20;;/h1-14,18H2;2*1H
InChIKeyQDMDLBQMWZMEMT-UHFFFAOYSA-N
XLogP1.26
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844150
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-N-methylacetamide
CID 60936918
1-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110932660
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833693
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride?
The IUPAC name of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride (CID 119833997) is 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride.
What is the SMILES notation for 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride?
The canonical SMILES for 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCCC1.
What is the InChIKey of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride?
The InChIKey is QDMDLBQMWZMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.2ClH/c18-17(6-2-1-3-7-17)16(23)21-12-10-19(11-13-21)14-15(22)20-8-4-5-9-20;;/h1-14,18H2;2*1H.
What are the key properties of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride?
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride has a molecular weight of 395.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119833997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).