(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

C11H21N3O — CID 103814614

IUPAC(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CN(C)CCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O/c1-9-8-13(2)6-7-14(9)11(15)10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyWTSVHZUITJHNCL-AXDSSHIGSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 103814614) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID103814614
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CN(C)CCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O/c1-9-8-13(2)6-7-14(9)11(15)10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyWTSVHZUITJHNCL-AXDSSHIGSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 114085731
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
CID 119885488
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 113315084
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 103814614) is (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is CC1CN(C)CCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is WTSVHZUITJHNCL-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-8-13(2)6-7-14(9)11(15)10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 211.31 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 103814614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).