1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile

C23H27N3 — CID 139805676

IUPAC1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile
SMILESCc1cccc(CCN2CCC(N3CCc4cc(C#N)ccc43)CC2)c1
InChIInChI=1S/C23H27N3/c1-18-3-2-4-19(15-18)7-11-25-12-9-22(10-13-25)26-14-8-21-16-20(17-24)5-6-23(21)26/h2-6,15-16,22H,7-14H2,1H3
InChIKeyXZKSUHOLDKMWBX-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.94
Rot. Bonds4

About 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile

1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile (PubChem CID 139805676) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile
PubChem CID139805676
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile
SMILESCc1cccc(CCN2CCC(N3CCc4cc(C#N)ccc43)CC2)c1
InChIInChI=1S/C23H27N3/c1-18-3-2-4-19(15-18)7-11-25-12-9-22(10-13-25)26-14-8-21-16-20(17-24)5-6-23(21)26/h2-6,15-16,22H,7-14H2,1H3
InChIKeyXZKSUHOLDKMWBX-UHFFFAOYSA-N
XLogP3.94
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile?
The IUPAC name of 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile (CID 139805676) is 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile is Cc1cccc(CCN2CCC(N3CCc4cc(C#N)ccc43)CC2)c1.
What is the InChIKey of 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile?
The InChIKey is XZKSUHOLDKMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-18-3-2-4-19(15-18)7-11-25-12-9-22(10-13-25)26-14-8-21-16-20(17-24)5-6-23(21)26/h2-6,15-16,22H,7-14H2,1H3.
What are the key properties of 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile?
1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile has a molecular weight of 345.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 139805676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).