4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole

C18H20N4O — CID 126951608

IUPAC4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(Cc3ccncn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-2-17-16(5-9-20-17)18(3-1)23-15-6-10-22(11-7-15)12-14-4-8-19-13-21-14/h1-5,8-9,13,15,20H,6-7,10-12H2
InChIKeyQVSGUXCDXKGMAO-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.00
Rot. Bonds4

About 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole

4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole (PubChem CID 126951608) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
PubChem CID126951608
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(Cc3ccncn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-2-17-16(5-9-20-17)18(3-1)23-15-6-10-22(11-7-15)12-14-4-8-19-13-21-14/h1-5,8-9,13,15,20H,6-7,10-12H2
InChIKeyQVSGUXCDXKGMAO-UHFFFAOYSA-N
XLogP3.00
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.00
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
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126951577
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951530
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole (CID 126951608) is 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole is c1cc(OC2CCN(Cc3ccncn3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The InChIKey is QVSGUXCDXKGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-17-16(5-9-20-17)18(3-1)23-15-6-10-22(11-7-15)12-14-4-8-19-13-21-14/h1-5,8-9,13,15,20H,6-7,10-12H2.
What are the key properties of 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole?
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole has a molecular weight of 308.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).