2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C23H29N3O2 — CID 9129986

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-15-20-5-3-4-6-22(20)26(18)23(27)17-25-13-11-24(12-14-25)16-19-7-9-21(28-2)10-8-19/h3-10,18H,11-17H2,1-2H3/t18-/m1/s1
InChIKeyDSNCXRXGMZSRBV-GOSISDBHSA-N
MW379.50 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 9129986) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID9129986
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-15-20-5-3-4-6-22(20)26(18)23(27)17-25-13-11-24(12-14-25)16-19-7-9-21(28-2)10-8-19/h3-10,18H,11-17H2,1-2H3/t18-/m1/s1
InChIKeyDSNCXRXGMZSRBV-GOSISDBHSA-N
XLogP2.79
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 9129986) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is COc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DSNCXRXGMZSRBV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-15-20-5-3-4-6-22(20)26(18)23(27)17-25-13-11-24(12-14-25)16-19-7-9-21(28-2)10-8-19/h3-10,18H,11-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 9129986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).