(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

C16H20N2O2 — CID 138496983

IUPAC(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCC[C@@H](C)C3)cc12
InChIInChI=1S/C16H20N2O2/c1-11-5-4-8-18(10-11)16(19)14-9-12-13(17-14)6-3-7-15(12)20-2/h3,6-7,9,11,17H,4-5,8,10H2,1-2H3/t11-/m1/s1
InChIKeyIROBZGVBXJRCIW-LLVKDONJSA-N
MW272.35 g/mol
LogP3.05
Rot. Bonds2

About (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 138496983) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID138496983
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCC[C@@H](C)C3)cc12
InChIInChI=1S/C16H20N2O2/c1-11-5-4-8-18(10-11)16(19)14-9-12-13(17-14)6-3-7-15(12)20-2/h3,6-7,9,11,17H,4-5,8,10H2,1-2H3/t11-/m1/s1
InChIKeyIROBZGVBXJRCIW-LLVKDONJSA-N
XLogP3.05
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 110235252
(4-methoxy-1H-indol-2-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 110233976
[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 125013553
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
methyl (2S)-2-[[(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163810900
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171530353

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone (CID 138496983) is (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone is COc1cccc2[nH]c(C(=O)N3CCC[C@@H](C)C3)cc12.
What is the InChIKey of (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is IROBZGVBXJRCIW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-4-8-18(10-11)16(19)14-9-12-13(17-14)6-3-7-15(12)20-2/h3,6-7,9,11,17H,4-5,8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 272.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 138496983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).