[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone

C21H22N2O2 — CID 84559095

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H22N2O2/c1-25-20-9-5-3-7-17(20)21(24)23-12-10-15(11-13-23)18-14-22-19-8-4-2-6-16(18)19/h2-9,14-15,22H,10-13H2,1H3
InChIKeyWDYXMWKCLVSJCA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.20
Rot. Bonds3

About [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 84559095) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID84559095
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H22N2O2/c1-25-20-9-5-3-7-17(20)21(24)23-12-10-15(11-13-23)18-14-22-19-8-4-2-6-16(18)19/h2-9,14-15,22H,10-13H2,1H3
InChIKeyWDYXMWKCLVSJCA-UHFFFAOYSA-N
XLogP4.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 84559095) is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is WDYXMWKCLVSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-20-9-5-3-7-17(20)21(24)23-12-10-15(11-13-23)18-14-22-19-8-4-2-6-16(18)19/h2-9,14-15,22H,10-13H2,1H3.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 84559095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).