2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C15H20N2O2 — CID 81103602

IUPAC2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H20N2O2/c1-15(19)6-8-17(9-7-15)14(18)13-10-11-4-2-3-5-12(11)16-13/h2-5,13,16,19H,6-10H2,1H3
InChIKeyTUGQREXLVJPOGT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.40
Rot. Bonds1

About 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81103602) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81103602
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H20N2O2/c1-15(19)6-8-17(9-7-15)14(18)13-10-11-4-2-3-5-12(11)16-13/h2-5,13,16,19H,6-10H2,1H3
InChIKeyTUGQREXLVJPOGT-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
8-azaspiro[4.5]decan-8-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 76986786
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318302
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81103602) is 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)C2Cc3ccccc3N2)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is TUGQREXLVJPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(19)6-8-17(9-7-15)14(18)13-10-11-4-2-3-5-12(11)16-13/h2-5,13,16,19H,6-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81103602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).