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

C23H30N4O2 — CID 70874483

IUPACN-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC([C@H](O)C[C@H]2c3ccccc3-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)/t20-,22+/m0/s1
InChIKeyPRKZMFJCGBMJSN-RBBKRZOGSA-N
MW394.52 g/mol
LogP3.57
Rot. Bonds4

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

N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide (PubChem CID 70874483) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide
PubChem CID70874483
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC([C@H](O)C[C@H]2c3ccccc3-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)/t20-,22+/m0/s1
InChIKeyPRKZMFJCGBMJSN-RBBKRZOGSA-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

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

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Related Compounds

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
Nlg919
CID 66558287
Acyl piperidine derivative 1
CID 70874141
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
1-Cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
CID 118917121
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
CID 129282689
2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 66558199
US10233190, Example 1385
CID 66558379
(1S)-1-cyclohexyl-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 66558554
US10233190, Example 1449
CID 66558639
US10233190, Example 1450
CID 66558640

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide (CID 70874483) is N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is PRKZMFJCGBMJSN-RBBKRZOGSA-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)/t20-,22+/m0/s1.
What are the key properties of N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?
N-cyclopentyl-4-[(1R)-1-hydroxy-2-[(5S)-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-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 70874483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).