3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide

C27H30N4O2 — CID 155538714

IUPAC3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)N(C2CCN(C(=O)C4CCCC4)CC2)CC3)c1
InChIInChI=1S/C27H30N4O2/c28-18-19-4-3-7-22(16-19)26(32)29-23-9-8-20-10-15-31(25(20)17-23)24-11-13-30(14-12-24)27(33)21-5-1-2-6-21/h3-4,7-9,16-17,21,24H,1-2,5-6,10-15H2,(H,29,32)
InChIKeyAJDLCDRBWVPUGI-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.35
Rot. Bonds4

About 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide

3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide (PubChem CID 155538714) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
PubChem CID155538714
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)N(C2CCN(C(=O)C4CCCC4)CC2)CC3)c1
InChIInChI=1S/C27H30N4O2/c28-18-19-4-3-7-22(16-19)26(32)29-23-9-8-20-10-15-31(25(20)17-23)24-11-13-30(14-12-24)27(33)21-5-1-2-6-21/h3-4,7-9,16-17,21,24H,1-2,5-6,10-15H2,(H,29,32)
InChIKeyAJDLCDRBWVPUGI-UHFFFAOYSA-N
XLogP4.35
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide (CID 155538714) is 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide is N#Cc1cccc(C(=O)Nc2ccc3c(c2)N(C2CCN(C(=O)C4CCCC4)CC2)CC3)c1.
What is the InChIKey of 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide?
The InChIKey is AJDLCDRBWVPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c28-18-19-4-3-7-22(16-19)26(32)29-23-9-8-20-10-15-31(25(20)17-23)24-11-13-30(14-12-24)27(33)21-5-1-2-6-21/h3-4,7-9,16-17,21,24H,1-2,5-6,10-15H2,(H,29,32).
What are the key properties of 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide?
3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide is sourced from PubChem (CID 155538714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).