2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride

C13H26Cl2N4O2 — CID 119839096

IUPAC2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCN)CC1.Cl.Cl
InChIInChI=1S/C13H24N4O2.2ClH/c1-10(13(19)15-11-2-3-11)16-6-8-17(9-7-16)12(18)4-5-14;;/h10-11H,2-9,14H2,1H3,(H,15,19);2*1H
InChIKeyDBALSOLSSNWJNU-UHFFFAOYSA-N
MW341.28 g/mol
LogP-0.01
Rot. Bonds5

About 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride

2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride (PubChem CID 119839096) has the molecular formula C13H26Cl2N4O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
PubChem CID119839096
Molecular FormulaC13H26Cl2N4O2
Molecular Weight341.28 g/mol
Exact Mass340.14
IUPAC Name2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCN)CC1.Cl.Cl
InChIInChI=1S/C13H24N4O2.2ClH/c1-10(13(19)15-11-2-3-11)16-6-8-17(9-7-16)12(18)4-5-14;;/h10-11H,2-9,14H2,1H3,(H,15,19);2*1H
InChIKeyDBALSOLSSNWJNU-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599
(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide
CID 95977783
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 75523124
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 120502700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
The IUPAC name of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride (CID 119839096) is 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride is CC(C(=O)NC1CC1)N1CCN(C(=O)CCN)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
The InChIKey is DBALSOLSSNWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.2ClH/c1-10(13(19)15-11-2-3-11)16-6-8-17(9-7-16)12(18)4-5-14;;/h10-11H,2-9,14H2,1H3,(H,15,19);2*1H.
What are the key properties of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride is sourced from PubChem (CID 119839096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).