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

C22H31N3O2 — CID 126768350

IUPAC[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
SMILESCCc1cccc2c(C3CCN(C(=O)C4CN(CC)CCO4)CC3)c[nH]c12
InChIInChI=1S/C22H31N3O2/c1-3-16-6-5-7-18-19(14-23-21(16)18)17-8-10-25(11-9-17)22(26)20-15-24(4-2)12-13-27-20/h5-7,14,17,20,23H,3-4,8-13,15H2,1-2H3
InChIKeyQFKVHWIHYYVVFS-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.16
Rot. Bonds4

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

[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone (PubChem CID 126768350) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
PubChem CID126768350
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
SMILESCCc1cccc2c(C3CCN(C(=O)C4CN(CC)CCO4)CC3)c[nH]c12
InChIInChI=1S/C22H31N3O2/c1-3-16-6-5-7-18-19(14-23-21(16)18)17-8-10-25(11-9-17)22(26)20-15-24(4-2)12-13-27-20/h5-7,14,17,20,23H,3-4,8-13,15H2,1-2H3
InChIKeyQFKVHWIHYYVVFS-UHFFFAOYSA-N
XLogP3.16
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 95136848
[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
(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
CID 119637717
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-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 87030920
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
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
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole
CID 84630954
1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 9275355

Frequently Asked Questions

What is the IUPAC name of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
The IUPAC name of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone (CID 126768350) is [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone.
What is the SMILES notation for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
The canonical SMILES for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone is CCc1cccc2c(C3CCN(C(=O)C4CN(CC)CCO4)CC3)c[nH]c12.
What is the InChIKey of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
The InChIKey is QFKVHWIHYYVVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-16-6-5-7-18-19(14-23-21(16)18)17-8-10-25(11-9-17)22(26)20-15-24(4-2)12-13-27-20/h5-7,14,17,20,23H,3-4,8-13,15H2,1-2H3.
What are the key properties of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone has a molecular weight of 369.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone is sourced from PubChem (CID 126768350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).