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

C22H24N2O2 — CID 53037973

IUPAC1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c25-22(21-16-18-6-4-5-9-20(18)23-21)24-13-10-17(11-14-24)12-15-26-19-7-2-1-3-8-19/h1-9,16-17,23H,10-15H2
InChIKeyQIKRBNYQKWORRN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.49
Rot. Bonds5

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

1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (PubChem CID 53037973) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
PubChem CID53037973
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c25-22(21-16-18-6-4-5-9-20(18)23-21)24-13-10-17(11-14-24)12-15-26-19-7-2-1-3-8-19/h1-9,16-17,23H,10-15H2
InChIKeyQIKRBNYQKWORRN-UHFFFAOYSA-N
XLogP4.49
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399450
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
CID 69280304
(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150687
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (CID 53037973) is 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The InChIKey is QIKRBNYQKWORRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(21-16-18-6-4-5-9-20(18)23-21)24-13-10-17(11-14-24)12-15-26-19-7-2-1-3-8-19/h1-9,16-17,23H,10-15H2.
What are the key properties of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53037973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).