N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide

C24H27N3O2 — CID 56905088

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C24H27N3O2/c28-21(10-9-16-15-26-20-8-4-2-5-17(16)20)27-22-18-6-1-3-7-19(18)24(23(22)29)11-13-25-14-12-24/h1-8,15,22-23,25-26,29H,9-14H2,(H,27,28)/t22-,23+/m1/s1
InChIKeyYFXSDGUNBQNVHT-PKTZIBPZSA-N
MW389.50 g/mol
LogP2.95
Rot. Bonds4

About N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 56905088) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID56905088
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C24H27N3O2/c28-21(10-9-16-15-26-20-8-4-2-5-17(16)20)27-22-18-6-1-3-7-19(18)24(23(22)29)11-13-25-14-12-24/h1-8,15,22-23,25-26,29H,9-14H2,(H,27,28)/t22-,23+/m1/s1
InChIKeyYFXSDGUNBQNVHT-PKTZIBPZSA-N
XLogP2.95
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide (CID 56905088) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is YFXSDGUNBQNVHT-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-21(10-9-16-15-26-20-8-4-2-5-17(16)20)27-22-18-6-1-3-7-19(18)24(23(22)29)11-13-25-14-12-24/h1-8,15,22-23,25-26,29H,9-14H2,(H,27,28)/t22-,23+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 56905088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).