1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone

C22H22N2O2 — CID 110394484

IUPAC1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESO=C(c1ccccc1)C1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C22H22N2O2/c25-21(13-18-14-23-20-11-5-4-10-19(18)20)24-12-6-9-17(15-24)22(26)16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,23H,6,9,12-13,15H2
InChIKeyQEHGIDCSGJWJFH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone

1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 110394484) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID110394484
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESO=C(c1ccccc1)C1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C22H22N2O2/c25-21(13-18-14-23-20-11-5-4-10-19(18)20)24-12-6-9-17(15-24)22(26)16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,23H,6,9,12-13,15H2
InChIKeyQEHGIDCSGJWJFH-UHFFFAOYSA-N
XLogP3.83
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
(3S)-1-[2-(6-chloro-1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 97323831
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone (CID 110394484) is 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone is O=C(c1ccccc1)C1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is QEHGIDCSGJWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(13-18-14-23-20-11-5-4-10-19(18)20)24-12-6-9-17(15-24)22(26)16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,23H,6,9,12-13,15H2.
What are the key properties of 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone?
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110394484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).