2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

C13H24ClN3O2 — CID 119269718

IUPAC2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-10(2)12(17)15-6-8-16(9-7-15)13(18)11-4-3-5-14-11;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyYRBJPPSBASTVAG-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.49
Rot. Bonds2

About 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119269718) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119269718
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-10(2)12(17)15-6-8-16(9-7-15)13(18)11-4-3-5-14-11;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyYRBJPPSBASTVAG-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877474
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119269718) is 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is CC(C)C(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is YRBJPPSBASTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-10(2)12(17)15-6-8-16(9-7-15)13(18)11-4-3-5-14-11;/h10-11,14H,3-9H2,1-2H3;1H.
What are the key properties of 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119269718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).