(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone

C15H20N2O2S — CID 134369269

IUPAC(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone
SMILESCSN1CCc2ccc(C(=O)N3CCC(O)CC3)cc21
InChIInChI=1S/C15H20N2O2S/c1-20-17-9-4-11-2-3-12(10-14(11)17)15(19)16-7-5-13(18)6-8-16/h2-3,10,13,18H,4-9H2,1H3
InChIKeyNYVPOUNQHATDPJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.92
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone

(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone (PubChem CID 134369269) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone
PubChem CID134369269
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone
SMILESCSN1CCc2ccc(C(=O)N3CCC(O)CC3)cc21
InChIInChI=1S/C15H20N2O2S/c1-20-17-9-4-11-2-3-12(10-14(11)17)15(19)16-7-5-13(18)6-8-16/h2-3,10,13,18H,4-9H2,1H3
InChIKeyNYVPOUNQHATDPJ-UHFFFAOYSA-N
XLogP1.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014603
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210549
CID 152894287
CID 152894287
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone (CID 134369269) is (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone is CSN1CCc2ccc(C(=O)N3CCC(O)CC3)cc21.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone?
The InChIKey is NYVPOUNQHATDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-17-9-4-11-2-3-12(10-14(11)17)15(19)16-7-5-13(18)6-8-16/h2-3,10,13,18H,4-9H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone?
(4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone has a molecular weight of 292.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(1-methylsulfanyl-2,3-dihydroindol-6-yl)methanone is sourced from PubChem (CID 134369269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).