[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone

C19H24N2O3 — CID 126951435

IUPAC[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H24N2O3/c22-19(14-7-12-23-13-8-14)21-10-5-15(6-11-21)24-18-3-1-2-17-16(18)4-9-20-17/h1-4,9,14-15,20H,5-8,10-13H2
InChIKeyJURSPDZTBSMQDC-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds3

About [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone

[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 126951435) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID126951435
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H24N2O3/c22-19(14-7-12-23-13-8-14)21-10-5-15(6-11-21)24-18-3-1-2-17-16(18)4-9-20-17/h1-4,9,14-15,20H,5-8,10-13H2
InChIKeyJURSPDZTBSMQDC-UHFFFAOYSA-N
XLogP2.96
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 126951467
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
CID 167146390
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone (CID 126951435) is [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC(Oc2cccc3[nH]ccc23)CC1.
What is the InChIKey of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is JURSPDZTBSMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-19(14-7-12-23-13-8-14)21-10-5-15(6-11-21)24-18-3-1-2-17-16(18)4-9-20-17/h1-4,9,14-15,20H,5-8,10-13H2.
What are the key properties of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone?
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 126951435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).