2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C12H23N3O — CID 82755930

IUPAC2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCNC[C@H]1C
InChIInChI=1S/C12H23N3O/c1-10-9-13-5-8-15(10)11(2)12(16)14-6-3-4-7-14/h10-11,13H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyGWASENBEYICTGV-NFJWQWPMSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 82755930) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID82755930
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCNC[C@H]1C
InChIInChI=1S/C12H23N3O/c1-10-9-13-5-8-15(10)11(2)12(16)14-6-3-4-7-14/h10-11,13H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyGWASENBEYICTGV-NFJWQWPMSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-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

2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 24693532
2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 64980370
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 83980128
N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
CID 62671760
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
CID 127006822
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 82755930) is 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCNC[C@H]1C.
What is the InChIKey of 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GWASENBEYICTGV-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-9-13-5-8-15(10)11(2)12(16)14-6-3-4-7-14/h10-11,13H,3-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82755930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).