2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride

C13H24Cl2N4O2 — CID 119835232

IUPAC2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C13H22N4O2.2ClH/c14-13(3-4-13)12(19)17-7-5-16(6-8-17)9-11(18)15-10-1-2-10;;/h10H,1-9,14H2,(H,15,18);2*1H
InChIKeyBIWDXXYARNYZNR-UHFFFAOYSA-N
MW339.27 g/mol
LogP-0.26
Rot. Bonds4

About 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride

2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride (PubChem CID 119835232) has the molecular formula C13H24Cl2N4O2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride
PubChem CID119835232
Molecular FormulaC13H24Cl2N4O2
Molecular Weight339.27 g/mol
Exact Mass338.13
IUPAC Name2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C13H22N4O2.2ClH/c14-13(3-4-13)12(19)17-7-5-16(6-8-17)9-11(18)15-10-1-2-10;;/h10H,1-9,14H2,(H,15,18);2*1H
InChIKeyBIWDXXYARNYZNR-UHFFFAOYSA-N
XLogP-0.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]propanamide
CID 65466835
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833858
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide
CID 146123613
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-N-methylacetamide
CID 60936918
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
N-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]propanamide
CID 81173098
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride (CID 119835232) is 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1.
What is the InChIKey of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride?
The InChIKey is BIWDXXYARNYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.2ClH/c14-13(3-4-13)12(19)17-7-5-16(6-8-17)9-11(18)15-10-1-2-10;;/h10H,1-9,14H2,(H,15,18);2*1H.
What are the key properties of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride?
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride has a molecular weight of 339.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride is sourced from PubChem (CID 119835232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).