[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone

C23H26N2O2 — CID 136539054

IUPAC[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H26N2O2/c1-16-6-5-7-18(14-16)15-23(27)10-12-25(13-11-23)22(26)21-17(2)24-20-9-4-3-8-19(20)21/h3-9,14,24,27H,10-13,15H2,1-2H3
InChIKeyCALFQHMXANLWPL-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.99
Rot. Bonds3

About [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone

[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 136539054) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
PubChem CID136539054
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H26N2O2/c1-16-6-5-7-18(14-16)15-23(27)10-12-25(13-11-23)22(26)21-17(2)24-20-9-4-3-8-19(20)21/h3-9,14,24,27H,10-13,15H2,1-2H3
InChIKeyCALFQHMXANLWPL-UHFFFAOYSA-N
XLogP3.99
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 174969427
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 136539060
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 136539065
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234
[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 167819148
2-ethyl-1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807639
(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804851
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95350137
[3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-2-methylindol-1-yl]-phenylmethanone
CID 118734426
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone (CID 136539054) is [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone is Cc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1.
What is the InChIKey of [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is CALFQHMXANLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-6-5-7-18(14-16)15-23(27)10-12-25(13-11-23)22(26)21-17(2)24-20-9-4-3-8-19(20)21/h3-9,14,24,27H,10-13,15H2,1-2H3.
What are the key properties of [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 362.47 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 136539054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).