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

C18H17ClN4O2 — CID 122259448

IUPAC[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C18H17ClN4O2/c19-14-9-21-18(22-10-14)25-15-2-1-7-23(11-15)17(24)13-3-4-16-12(8-13)5-6-20-16/h3-6,8-10,15,20H,1-2,7,11H2
InChIKeyXTTPEWFDNMRKGN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.29
Rot. Bonds3

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

[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 122259448) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID122259448
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C18H17ClN4O2/c19-14-9-21-18(22-10-14)25-15-2-1-7-23(11-15)17(24)13-3-4-16-12(8-13)5-6-20-16/h3-6,8-10,15,20H,1-2,7,11H2
InChIKeyXTTPEWFDNMRKGN-UHFFFAOYSA-N
XLogP3.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 119100812
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122260397
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122267298
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 122243582
1H-indol-6-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267583
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-nitrophenyl)methanone
CID 122259334

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone (CID 122259448) is [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is XTTPEWFDNMRKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-9-21-18(22-10-14)25-15-2-1-7-23(11-15)17(24)13-3-4-16-12(8-13)5-6-20-16/h3-6,8-10,15,20H,1-2,7,11H2.
What are the key properties of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 356.81 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 122259448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).