5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide

C11H21N3O2 — CID 107433786

IUPAC5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
SMILESCCCN(C(=O)C1CNC(=O)CN1)C(C)C
InChIInChI=1S/C11H21N3O2/c1-4-5-14(8(2)3)11(16)9-6-13-10(15)7-12-9/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyCPOAVSHXSSOQDY-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds4

About 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide

5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide (PubChem CID 107433786) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
PubChem CID107433786
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
SMILESCCCN(C(=O)C1CNC(=O)CN1)C(C)C
InChIInChI=1S/C11H21N3O2/c1-4-5-14(8(2)3)11(16)9-6-13-10(15)7-12-9/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyCPOAVSHXSSOQDY-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
CID 107437361
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107435225
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435333
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420
N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435329

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide (CID 107433786) is 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide is CCCN(C(=O)C1CNC(=O)CN1)C(C)C.
What is the InChIKey of 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide?
The InChIKey is CPOAVSHXSSOQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-5-14(8(2)3)11(16)9-6-13-10(15)7-12-9/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide?
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide is sourced from PubChem (CID 107433786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).