[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone

C23H26N2O4 — CID 143770271

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(O)c(OCc3ccccc3)cc2[nH]1)N1CCC(CCO)CC1
InChIInChI=1S/C23H26N2O4/c26-11-8-16-6-9-25(10-7-16)23(28)20-12-18-13-21(27)22(14-19(18)24-20)29-15-17-4-2-1-3-5-17/h1-5,12-14,16,24,26-27H,6-11,15H2
InChIKeyIIUFCVBSUJDVDL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.69
Rot. Bonds6

About [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone

[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 143770271) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID143770271
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(O)c(OCc3ccccc3)cc2[nH]1)N1CCC(CCO)CC1
InChIInChI=1S/C23H26N2O4/c26-11-8-16-6-9-25(10-7-16)23(28)20-12-18-13-21(27)22(14-19(18)24-20)29-15-17-4-2-1-3-5-17/h1-5,12-14,16,24,26-27H,6-11,15H2
InChIKeyIIUFCVBSUJDVDL-UHFFFAOYSA-N
XLogP3.69
TPSA85.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950
(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone
CID 70008160
[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 141284170
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
N-[2-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 70018590
[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
6-cyclohexyloxy-4-phenylmethoxy-1H-indole-2-carboxylic acid
CID 175367557
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11530965

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone (CID 143770271) is [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone is O=C(c1cc2cc(O)c(OCc3ccccc3)cc2[nH]1)N1CCC(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is IIUFCVBSUJDVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-11-8-16-6-9-25(10-7-16)23(28)20-12-18-13-21(27)22(14-19(18)24-20)29-15-17-4-2-1-3-5-17/h1-5,12-14,16,24,26-27H,6-11,15H2.
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone?
[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 394.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 143770271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).