3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C13H26ClN3O2 — CID 120982089

IUPAC3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)CC1CCOC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-15(10-12-3-9-18-11-12)6-2-13(17)16-7-4-14-5-8-16;/h12,14H,2-11H2,1H3;1H
InChIKeyJMBPZIRPDTZJMA-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.20
Rot. Bonds5

About 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120982089) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120982089
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)CC1CCOC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-15(10-12-3-9-18-11-12)6-2-13(17)16-7-4-14-5-8-16;/h12,14H,2-11H2,1H3;1H
InChIKeyJMBPZIRPDTZJMA-UHFFFAOYSA-N
XLogP0.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride 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

2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835931
3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63864805
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione
CID 82509862
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide
CID 55227020
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982772
1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
CID 63712793

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120982089) is 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CN(CCC(=O)N1CCNCC1)CC1CCOC1.Cl.
What is the InChIKey of 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is JMBPZIRPDTZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-15(10-12-3-9-18-11-12)6-2-13(17)16-7-4-14-5-8-16;/h12,14H,2-11H2,1H3;1H.
What are the key properties of 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120982089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).