[4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

C20H28N4O2 — CID 163403262

IUPAC[4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1Cc2cccc(C(=O)N3CCN(C(=O)C4CCCN4C)CC3)c2C1
InChIInChI=1S/C20H28N4O2/c1-21-13-15-5-3-6-16(17(15)14-21)19(25)23-9-11-24(12-10-23)20(26)18-7-4-8-22(18)2/h3,5-6,18H,4,7-14H2,1-2H3
InChIKeySTESYWTWUZUPRA-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.01
Rot. Bonds2

About [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

[4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 163403262) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
PubChem CID163403262
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1Cc2cccc(C(=O)N3CCN(C(=O)C4CCCN4C)CC3)c2C1
InChIInChI=1S/C20H28N4O2/c1-21-13-15-5-3-6-16(17(15)14-21)19(25)23-9-11-24(12-10-23)20(26)18-7-4-8-22(18)2/h3,5-6,18H,4,7-14H2,1-2H3
InChIKeySTESYWTWUZUPRA-UHFFFAOYSA-N
XLogP1.01
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (CID 163403262) is [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is CN1Cc2cccc(C(=O)N3CCN(C(=O)C4CCCN4C)CC3)c2C1.
What is the InChIKey of [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is STESYWTWUZUPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-21-13-15-5-3-6-16(17(15)14-21)19(25)23-9-11-24(12-10-23)20(26)18-7-4-8-22(18)2/h3,5-6,18H,4,7-14H2,1-2H3.
What are the key properties of [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
[4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 163403262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).