(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C25H30N2O4 — CID 51501848

IUPAC(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCOc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O
InChIInChI=1S/C25H30N2O4/c1-26-15-20(18-5-3-4-6-21(18)26)23(29)16-27-11-9-25(10-12-27)14-22(28)19-8-7-17(30-2)13-24(19)31-25/h3-8,13,15,22-23,28-29H,9-12,14,16H2,1-2H3/t22-,23+/m1/s1
InChIKeyLDRJKFZBZHDVFR-PKTZIBPZSA-N
MW422.53 g/mol
LogP3.57
Rot. Bonds4

About (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 51501848) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID51501848
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCOc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O
InChIInChI=1S/C25H30N2O4/c1-26-15-20(18-5-3-4-6-21(18)26)23(29)16-27-11-9-25(10-12-27)14-22(28)19-8-7-17(30-2)13-24(19)31-25/h3-8,13,15,22-23,28-29H,9-12,14,16H2,1-2H3/t22-,23+/m1/s1
InChIKeyLDRJKFZBZHDVFR-PKTZIBPZSA-N
XLogP3.57
TPSA67.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955182
1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955215
(4R)-1'-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503554
(4S)-1'-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92552685
(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501874
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800
(4S)-1'-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503842
1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955184
1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16673676
(4S)-1'-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503726
N-[4-[(1R)-1-hydroxy-2-[(4R)-4-hydroxy-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]propanamide
CID 92585590
6-chloro-1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955195

Frequently Asked Questions

What is the IUPAC name of (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 51501848) is (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)C[C@H]2O.
What is the InChIKey of (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is LDRJKFZBZHDVFR-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-26-15-20(18-5-3-4-6-21(18)26)23(29)16-27-11-9-25(10-12-27)14-22(28)19-8-7-17(30-2)13-24(19)31-25/h3-8,13,15,22-23,28-29H,9-12,14,16H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 422.53 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 51501848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).