(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone

C16H22N2O — CID 110485530

IUPAC(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C16H22N2O/c1-12-5-9-18(10-6-12)16(19)14-3-4-15-13(11-14)7-8-17(15)2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyUZBYADQXUFBFJH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.55
Rot. Bonds1

About (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone

(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110485530) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110485530
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C16H22N2O/c1-12-5-9-18(10-6-12)16(19)14-3-4-15-13(11-14)7-8-17(15)2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyUZBYADQXUFBFJH-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014603
(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone
CID 110201084
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
7-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one;dihydrochloride
CID 119647314
[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone
CID 70909463
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119518081

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone (CID 110485530) is (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UZBYADQXUFBFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-9-18(10-6-12)16(19)14-3-4-15-13(11-14)7-8-17(15)2/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone?
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110485530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).