(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone

C12H23N3O — CID 79180783

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC(C)C(C)C2)CN1
InChIInChI=1S/C12H23N3O/c1-8-6-15(7-9(8)2)12(16)11-5-13-10(3)4-14-11/h8-11,13-14H,4-7H2,1-3H3
InChIKeyJRJAUZRYIDRUNJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.05
Rot. Bonds1

About (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone

(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone (PubChem CID 79180783) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
PubChem CID79180783
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC(C)C(C)C2)CN1
InChIInChI=1S/C12H23N3O/c1-8-6-15(7-9(8)2)12(16)11-5-13-10(3)4-14-11/h8-11,13-14H,4-7H2,1-3H3
InChIKeyJRJAUZRYIDRUNJ-UHFFFAOYSA-N
XLogP0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 114196496
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 55176687
[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 63524790
3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 63103852
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55177070
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone
CID 81203509
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
CID 79938706
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 63526190

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone (CID 79180783) is (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CC(C)C(C)C2)CN1.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone?
The InChIKey is JRJAUZRYIDRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8-6-15(7-9(8)2)12(16)11-5-13-10(3)4-14-11/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 79180783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).