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

C23H30N4O2 — CID 77141528

IUPACN-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C23H30N4O2/c28-22(13-20-18-7-3-4-8-19(18)21-14-24-15-27(20)21)16-9-11-26(12-10-16)23(29)25-17-5-1-2-6-17/h3-4,7-8,14-17,20,22,28H,1-2,5-6,9-13H2,(H,25,29)
InChIKeyPRKZMFJCGBMJSN-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.57
Rot. Bonds4

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

N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 77141528) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID77141528
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C23H30N4O2/c28-22(13-20-18-7-3-4-8-19(18)21-14-24-15-27(20)21)16-9-11-26(12-10-16)23(29)25-17-5-1-2-6-17/h3-4,7-8,14-17,20,22,28H,1-2,5-6,9-13H2,(H,25,29)
InChIKeyPRKZMFJCGBMJSN-UHFFFAOYSA-N
XLogP3.57
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide
CID 66558639
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
N-(4-cyanophenyl)-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 70874806
4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 70874486
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
benzyl N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]carbamate
CID 118931223
3,3-difluoro-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]butan-1-one
CID 66557939
1-[4-(aminomethyl)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide
CID 159456688
2-[4-[(1S)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-1-phenylethanone
CID 66558807
1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone
CID 135172858
1-[2-[4-[(1S)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]phenyl]propan-1-one
CID 174701661
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] 2-phenylacetate
CID 157186673

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide (CID 77141528) is N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is PRKZMFJCGBMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22(13-20-18-7-3-4-8-19(18)21-14-24-15-27(20)21)16-9-11-26(12-10-16)23(29)25-17-5-1-2-6-17/h3-4,7-8,14-17,20,22,28H,1-2,5-6,9-13H2,(H,25,29).
What are the key properties of N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide?
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 77141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).