2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one

C14H21N3O2 — CID 170396047

IUPAC2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C2=NCC=C2)C(C)C1
InChIInChI=1S/C14H21N3O2/c1-10(2)13(18)16-7-8-17(11(3)9-16)14(19)12-5-4-6-15-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQWJBLFXSJZEYEO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds2

About 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one

2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 170396047) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID170396047
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C2=NCC=C2)C(C)C1
InChIInChI=1S/C14H21N3O2/c1-10(2)13(18)16-7-8-17(11(3)9-16)14(19)12-5-4-6-15-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQWJBLFXSJZEYEO-UHFFFAOYSA-N
XLogP0.71
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one (CID 170396047) is 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C(=O)C2=NCC=C2)C(C)C1.
What is the InChIKey of 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is QWJBLFXSJZEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)13(18)16-7-8-17(11(3)9-16)14(19)12-5-4-6-15-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-4-(2H-pyrrole-5-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 170396047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).