4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole

C19H26N2O3 — CID 126951709

IUPAC4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(CC3COCCOC3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C19H26N2O3/c1-2-18-17(4-7-20-18)19(3-1)24-16-5-8-21(9-6-16)12-15-13-22-10-11-23-14-15/h1-4,7,15-16,20H,5-6,8-14H2
InChIKeyNHWKSXSOLIPWAH-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.67
Rot. Bonds4

About 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole

4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole (PubChem CID 126951709) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
PubChem CID126951709
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(CC3COCCOC3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C19H26N2O3/c1-2-18-17(4-7-20-18)19(3-1)24-16-5-8-21(9-6-16)12-15-13-22-10-11-23-14-15/h1-4,7,15-16,20H,5-6,8-14H2
InChIKeyNHWKSXSOLIPWAH-UHFFFAOYSA-N
XLogP2.67
TPSA46.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126951577

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole (CID 126951709) is 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole is c1cc(OC2CCN(CC3COCCOC3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The InChIKey is NHWKSXSOLIPWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-18-17(4-7-20-18)19(3-1)24-16-5-8-21(9-6-16)12-15-13-22-10-11-23-14-15/h1-4,7,15-16,20H,5-6,8-14H2.
What are the key properties of 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole?
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole has a molecular weight of 330.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).