[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone

C18H17FN4O2 — CID 119100757

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C18H17FN4O2/c19-13-9-20-18(21-10-13)25-14-5-3-7-23(11-14)17(24)16-8-12-4-1-2-6-15(12)22-16/h1-2,4,6,8-10,14,22H,3,5,7,11H2
InChIKeyLOIDWSRYPCGGPN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.78
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 119100757) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID119100757
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C18H17FN4O2/c19-13-9-20-18(21-10-13)25-14-5-3-7-23(11-14)17(24)16-8-12-4-1-2-6-15(12)22-16/h1-2,4,6,8-10,14,22H,3,5,7,11H2
InChIKeyLOIDWSRYPCGGPN-UHFFFAOYSA-N
XLogP2.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 122258470
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122258230
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone (CID 119100757) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is LOIDWSRYPCGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-9-20-18(21-10-13)25-14-5-3-7-23(11-14)17(24)16-8-12-4-1-2-6-15(12)22-16/h1-2,4,6,8-10,14,22H,3,5,7,11H2.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 340.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 119100757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).