4-(3-aminopropyl)-3-methylpiperazin-2-one

C8H17N3O — CID 63594919

IUPAC4-(3-aminopropyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1CCCN
InChIInChI=1S/C8H17N3O/c1-7-8(12)10-4-6-11(7)5-2-3-9/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyHZWVZEWMCPZMOM-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds3

About 4-(3-aminopropyl)-3-methylpiperazin-2-one

4-(3-aminopropyl)-3-methylpiperazin-2-one (PubChem CID 63594919) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-3-methylpiperazin-2-one
PubChem CID63594919
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(3-aminopropyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1CCCN
InChIInChI=1S/C8H17N3O/c1-7-8(12)10-4-6-11(7)5-2-3-9/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyHZWVZEWMCPZMOM-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminopropyl)-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid
CID 63606812
4-[2-(4-aminophenyl)ethyl]-3-methylpiperazin-2-one
CID 63596462
4-[3-(3-aminophenoxy)propyl]-3-methylpiperazin-2-one
CID 63595240
2-(2-methyl-3-oxopiperazin-1-yl)ethanethioamide
CID 63596493
2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
CID 63607560
3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
CID 136523920
4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-3-methylpiperazin-2-one
CID 63606669
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
4-[(2-amino-6-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63597180
4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 74239154
2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid
CID 79621656
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3-aminopropyl)-3-methylpiperazin-2-one (CID 63594919) is 4-(3-aminopropyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-3-methylpiperazin-2-one?
The InChIKey is HZWVZEWMCPZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7-8(12)10-4-6-11(7)5-2-3-9/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 4-(3-aminopropyl)-3-methylpiperazin-2-one?
4-(3-aminopropyl)-3-methylpiperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63594919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).