3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one

C11H21N3O2 — CID 63607417

IUPAC3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
SMILESCC(C)NCCC(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H21N3O2/c1-8(2)12-5-4-10(15)14-7-6-13-11(16)9(14)3/h8-9,12H,4-7H2,1-3H3,(H,13,16)
InChIKeyARTHGXOAOOEVBW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds4

About 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one

3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one (PubChem CID 63607417) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
PubChem CID63607417
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
SMILESCC(C)NCCC(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H21N3O2/c1-8(2)12-5-4-10(15)14-7-6-13-11(16)9(14)3/h8-9,12H,4-7H2,1-3H3,(H,13,16)
InChIKeyARTHGXOAOOEVBW-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one (CID 63607417) is 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one is CC(C)NCCC(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one?
The InChIKey is ARTHGXOAOOEVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)12-5-4-10(15)14-7-6-13-11(16)9(14)3/h8-9,12H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one?
3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one 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 3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one is sourced from PubChem (CID 63607417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).