[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone

C20H26N2O3 — CID 95136848

IUPAC[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCCc1cccc2c(C3CCN(C(=O)[C@H]4COCCO4)CC3)c[nH]c12
InChIInChI=1S/C20H26N2O3/c1-2-14-4-3-5-16-17(12-21-19(14)16)15-6-8-22(9-7-15)20(23)18-13-24-10-11-25-18/h3-5,12,15,18,21H,2,6-11,13H2,1H3/t18-/m1/s1
InChIKeyLVVWTDHTXQPOEZ-GOSISDBHSA-N
MW342.44 g/mol
LogP2.85
Rot. Bonds3

About [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone

[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 95136848) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID95136848
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCCc1cccc2c(C3CCN(C(=O)[C@H]4COCCO4)CC3)c[nH]c12
InChIInChI=1S/C20H26N2O3/c1-2-14-4-3-5-16-17(12-21-19(14)16)15-6-8-22(9-7-15)20(23)18-13-24-10-11-25-18/h3-5,12,15,18,21H,2,6-11,13H2,1H3/t18-/m1/s1
InChIKeyLVVWTDHTXQPOEZ-GOSISDBHSA-N
XLogP2.85
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
CID 126768350
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633706
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 87042789
N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 87030920
(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
4-[5-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
CID 154858783
6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154807071
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97194159
1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 74249525
1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119261251
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
7-ethyl-3-(7-ethyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 132837418

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone (CID 95136848) is [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone is CCc1cccc2c(C3CCN(C(=O)[C@H]4COCCO4)CC3)c[nH]c12.
What is the InChIKey of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LVVWTDHTXQPOEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-14-4-3-5-16-17(12-21-19(14)16)15-6-8-22(9-7-15)20(23)18-13-24-10-11-25-18/h3-5,12,15,18,21H,2,6-11,13H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).