(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one

C13H19N3O2 — CID 124624591

IUPAC(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
SMILESCc1c(C(=O)N2CCN(C)C(=O)[C@H]2C)ccn1C
InChIInChI=1S/C13H19N3O2/c1-9-11(5-6-14(9)3)13(18)16-8-7-15(4)12(17)10(16)2/h5-6,10H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyZOFDRYPBTVAZBO-SNVBAGLBSA-N
MW249.31 g/mol
LogP0.64
Rot. Bonds1

About (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one

(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one (PubChem CID 124624591) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
PubChem CID124624591
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
SMILESCc1c(C(=O)N2CCN(C)C(=O)[C@H]2C)ccn1C
InChIInChI=1S/C13H19N3O2/c1-9-11(5-6-14(9)3)13(18)16-8-7-15(4)12(17)10(16)2/h5-6,10H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyZOFDRYPBTVAZBO-SNVBAGLBSA-N
XLogP0.64
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one?
The IUPAC name of (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one (CID 124624591) is (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one?
The canonical SMILES for (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one is Cc1c(C(=O)N2CCN(C)C(=O)[C@H]2C)ccn1C.
What is the InChIKey of (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one?
The InChIKey is ZOFDRYPBTVAZBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-11(5-6-14(9)3)13(18)16-8-7-15(4)12(17)10(16)2/h5-6,10H,7-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one?
(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 124624591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).