5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide

C11H19N3O2 — CID 107437361

IUPAC5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
SMILESC=CCN(CCC)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O2/c1-3-5-14(6-4-2)11(16)9-7-13-10(15)8-12-9/h3,9,12H,1,4-8H2,2H3,(H,13,15)
InChIKeySCKRBKVMTCFSLW-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.50
Rot. Bonds5

About 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide

5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide (PubChem CID 107437361) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
PubChem CID107437361
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
SMILESC=CCN(CCC)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O2/c1-3-5-14(6-4-2)11(16)9-7-13-10(15)8-12-9/h3,9,12H,1,4-8H2,2H3,(H,13,15)
InChIKeySCKRBKVMTCFSLW-UHFFFAOYSA-N
XLogP-0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435333
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435465
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435385
ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
CID 107435393
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide
CID 107436470

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide (CID 107437361) is 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide is C=CCN(CCC)C(=O)C1CNC(=O)CN1.
What is the InChIKey of 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide?
The InChIKey is SCKRBKVMTCFSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-14(6-4-2)11(16)9-7-13-10(15)8-12-9/h3,9,12H,1,4-8H2,2H3,(H,13,15).
What are the key properties of 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide?
5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide is sourced from PubChem (CID 107437361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).