1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one

C22H30N2O3 — CID 126769292

IUPAC1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)C(C)C4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H30N2O3/c1-15(16-7-11-27-12-8-16)22(25)24-9-5-17(6-10-24)20-14-23-21-4-3-18(26-2)13-19(20)21/h3-4,13-17,23H,5-12H2,1-2H3
InChIKeyWRUOHXKWEYYQKY-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one

1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one (PubChem CID 126769292) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
PubChem CID126769292
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)C(C)C4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H30N2O3/c1-15(16-7-11-27-12-8-16)22(25)24-9-5-17(6-10-24)20-14-23-21-4-3-18(26-2)13-19(20)21/h3-4,13-17,23H,5-12H2,1-2H3
InChIKeyWRUOHXKWEYYQKY-UHFFFAOYSA-N
XLogP3.95
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one with MolForge

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Related Compounds

(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 86837322
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126787585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The IUPAC name of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one (CID 126769292) is 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one is COc1ccc2[nH]cc(C3CCN(C(=O)C(C)C4CCOCC4)CC3)c2c1.
What is the InChIKey of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The InChIKey is WRUOHXKWEYYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15(16-7-11-27-12-8-16)22(25)24-9-5-17(6-10-24)20-14-23-21-4-3-18(26-2)13-19(20)21/h3-4,13-17,23H,5-12H2,1-2H3.
What are the key properties of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one?
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one has a molecular weight of 370.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 126769292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).