(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

C21H22N2O2 — CID 110883917

IUPAC(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(O)CC1
InChIInChI=1S/C21H22N2O2/c24-17-10-12-22(13-11-17)21(25)19-15-23(14-16-6-2-1-3-7-16)20-9-5-4-8-18(19)20/h1-9,15,17,24H,10-14H2
InChIKeyPDQOCRDBKMXIGZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.29
Rot. Bonds3

About (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 110883917) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID110883917
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(O)CC1
InChIInChI=1S/C21H22N2O2/c24-17-10-12-22(13-11-17)21(25)19-15-23(14-16-6-2-1-3-7-16)20-9-5-4-8-18(19)20/h1-9,15,17,24H,10-14H2
InChIKeyPDQOCRDBKMXIGZ-UHFFFAOYSA-N
XLogP3.29
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 158055671
(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532971
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-(4-benzylpiperidin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173436

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 110883917) is (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(O)CC1.
What is the InChIKey of (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is PDQOCRDBKMXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-17-10-12-22(13-11-17)21(25)19-15-23(14-16-6-2-1-3-7-16)20-9-5-4-8-18(19)20/h1-9,15,17,24H,10-14H2.
What are the key properties of (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 110883917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).