4-(3-aminopropanoyl)piperazine-1-carboxamide

C8H16N4O2 — CID 2756537

IUPAC4-(3-aminopropanoyl)piperazine-1-carboxamide
SMILESNCCC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C8H16N4O2/c9-2-1-7(13)11-3-5-12(6-4-11)8(10)14/h1-6,9H2,(H2,10,14)
InChIKeyCTZJKGBPHCSUHE-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.44
Rot. Bonds2

About 4-(3-aminopropanoyl)piperazine-1-carboxamide

4-(3-aminopropanoyl)piperazine-1-carboxamide (PubChem CID 2756537) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(3-aminopropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminopropanoyl)piperazine-1-carboxamide
PubChem CID2756537
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name4-(3-aminopropanoyl)piperazine-1-carboxamide
SMILESNCCC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C8H16N4O2/c9-2-1-7(13)11-3-5-12(6-4-11)8(10)14/h1-6,9H2,(H2,10,14)
InChIKeyCTZJKGBPHCSUHE-UHFFFAOYSA-N
XLogP-1.44
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
4-(aminomethyl)piperazine-1-carboxamide
CID 22006108
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
3-amino-1-[4-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 121200922
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
N'-(2-aminoethyl)ethane-1,2-diamine;1,6-bis(aziridin-1-yl)hexane-1,6-dione
CID 175369374
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-aminopropanoyl)piperazine-1-carboxamide (CID 2756537) is 4-(3-aminopropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminopropanoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminopropanoyl)piperazine-1-carboxamide is NCCC(=O)N1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(3-aminopropanoyl)piperazine-1-carboxamide?
The InChIKey is CTZJKGBPHCSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-2-1-7(13)11-3-5-12(6-4-11)8(10)14/h1-6,9H2,(H2,10,14).
What are the key properties of 4-(3-aminopropanoyl)piperazine-1-carboxamide?
4-(3-aminopropanoyl)piperazine-1-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 2756537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).