2-piperazin-1-ylpropanamide;dihydrochloride

C7H17Cl2N3O — CID 54593431

IUPAC2-piperazin-1-ylpropanamide;dihydrochloride
SMILESCC(C(N)=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C7H15N3O.2ClH/c1-6(7(8)11)10-4-2-9-3-5-10;;/h6,9H,2-5H2,1H3,(H2,8,11);2*1H
InChIKeyPTELSHBHNYBJCE-UHFFFAOYSA-N
MW230.14 g/mol
LogP-0.39
Rot. Bonds2

About 2-piperazin-1-ylpropanamide;dihydrochloride

2-piperazin-1-ylpropanamide;dihydrochloride (PubChem CID 54593431) has the molecular formula C7H17Cl2N3O and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-piperazin-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylpropanamide;dihydrochloride
PubChem CID54593431
Molecular FormulaC7H17Cl2N3O
Molecular Weight230.14 g/mol
Exact Mass229.07
IUPAC Name2-piperazin-1-ylpropanamide;dihydrochloride
SMILESCC(C(N)=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C7H15N3O.2ClH/c1-6(7(8)11)10-4-2-9-3-5-10;;/h6,9H,2-5H2,1H3,(H2,8,11);2*1H
InChIKeyPTELSHBHNYBJCE-UHFFFAOYSA-N
XLogP-0.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-pyrrolidin-1-ylpropanamide
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2,2-di(piperazin-1-yl)acetamide
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(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
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2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
2-(4-acetylpiperazin-1-yl)propanamide
CID 60644667
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
3-methoxy-2-piperazin-1-ylbutanamide
CID 69091413
bis(2-morpholin-4-ylpropanamide);hydrate
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4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpropanamide;dihydrochloride?
The IUPAC name of 2-piperazin-1-ylpropanamide;dihydrochloride (CID 54593431) is 2-piperazin-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-ylpropanamide;dihydrochloride?
The canonical SMILES for 2-piperazin-1-ylpropanamide;dihydrochloride is CC(C(N)=O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-piperazin-1-ylpropanamide;dihydrochloride?
The InChIKey is PTELSHBHNYBJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.2ClH/c1-6(7(8)11)10-4-2-9-3-5-10;;/h6,9H,2-5H2,1H3,(H2,8,11);2*1H.
What are the key properties of 2-piperazin-1-ylpropanamide;dihydrochloride?
2-piperazin-1-ylpropanamide;dihydrochloride has a molecular weight of 230.14 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 54593431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).