4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide

C24H26N4O2 — CID 66558639

IUPAC4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)
InChIKeyYQNFLDBZFLCLLR-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.15
Rot. Bonds4

About 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide

4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 66558639) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID66558639
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)
InChIKeyYQNFLDBZFLCLLR-UHFFFAOYSA-N
XLogP4.15
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide (CID 66558639) is 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is YQNFLDBZFLCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30).
What are the key properties of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide?
4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 66558639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).