3-oxo-N-propan-2-ylpiperazine-1-carboxamide

C8H15N3O2 — CID 53017573

IUPAC3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H15N3O2/c1-6(2)10-8(13)11-4-3-9-7(12)5-11/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyGGEMANWIDNBRIV-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.46
Rot. Bonds1

About 3-oxo-N-propan-2-ylpiperazine-1-carboxamide

3-oxo-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 53017573) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-oxo-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID53017573
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H15N3O2/c1-6(2)10-8(13)11-4-3-9-7(12)5-11/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyGGEMANWIDNBRIV-UHFFFAOYSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 3-oxo-N-propan-2-ylpiperazine-1-carboxamide (CID 53017573) is 3-oxo-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 3-oxo-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCNC(=O)C1.
What is the InChIKey of 3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is GGEMANWIDNBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(2)10-8(13)11-4-3-9-7(12)5-11/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of 3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
3-oxo-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 53017573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).