3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one

C10H19N3O — CID 63596858

IUPAC3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
SMILESCC1C(=O)NCCN1CC1CCCN1
InChIInChI=1S/C10H19N3O/c1-8-10(14)12-5-6-13(8)7-9-3-2-4-11-9/h8-9,11H,2-7H2,1H3,(H,12,14)
InChIKeyZTMRLMOANRXOSV-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds2

About 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one

3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one (PubChem CID 63596858) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
PubChem CID63596858
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
SMILESCC1C(=O)NCCN1CC1CCCN1
InChIInChI=1S/C10H19N3O/c1-8-10(14)12-5-6-13(8)7-9-3-2-4-11-9/h8-9,11H,2-7H2,1H3,(H,12,14)
InChIKeyZTMRLMOANRXOSV-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one (CID 63596858) is 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one is CC1C(=O)NCCN1CC1CCCN1.
What is the InChIKey of 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one?
The InChIKey is ZTMRLMOANRXOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-10(14)12-5-6-13(8)7-9-3-2-4-11-9/h8-9,11H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one?
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 63596858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).