(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone

C21H20N2O3 — CID 75403252

IUPAC(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C21H20N2O3/c24-18-5-3-15(4-6-18)20(25)16-8-11-23(12-9-16)21(26)17-2-1-14-7-10-22-19(14)13-17/h1-7,10,13,16,22,24H,8-9,11-12H2
InChIKeyBDMHHWFCXZXWKB-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.61
Rot. Bonds3

About (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone

(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone (PubChem CID 75403252) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
PubChem CID75403252
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C21H20N2O3/c24-18-5-3-15(4-6-18)20(25)16-8-11-23(12-9-16)21(26)17-2-1-14-7-10-22-19(14)13-17/h1-7,10,13,16,22,24H,8-9,11-12H2
InChIKeyBDMHHWFCXZXWKB-UHFFFAOYSA-N
XLogP3.61
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 51128572
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 164615358
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
1H-indol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592273

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone (CID 75403252) is (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone is O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone?
The InChIKey is BDMHHWFCXZXWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-18-5-3-15(4-6-18)20(25)16-8-11-23(12-9-16)21(26)17-2-1-14-7-10-22-19(14)13-17/h1-7,10,13,16,22,24H,8-9,11-12H2.
What are the key properties of (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone?
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone has a molecular weight of 348.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 75403252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).