1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

C19H20N4O2 — CID 122260670

IUPAC1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C19H20N4O2/c1-13-20-9-8-18(21-13)25-15-6-4-10-23(12-15)19(24)17-11-14-5-2-3-7-16(14)22-17/h2-3,5,7-9,11,15,22H,4,6,10,12H2,1H3
InChIKeyKMYVRARPPYZVHJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.95
Rot. Bonds3

About 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122260670) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122260670
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C19H20N4O2/c1-13-20-9-8-18(21-13)25-15-6-4-10-23(12-15)19(24)17-11-14-5-2-3-7-16(14)22-17/h2-3,5,7-9,11,15,22H,4,6,10,12H2,1H3
InChIKeyKMYVRARPPYZVHJ-UHFFFAOYSA-N
XLogP2.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.95
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
4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
CID 122260938
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
(5-methyl-1-phenylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260701
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
CID 122260909
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 122260897

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122260670) is 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is Cc1nccc(OC2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1.
What is the InChIKey of 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is KMYVRARPPYZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-20-9-8-18(21-13)25-15-6-4-10-23(12-15)19(24)17-11-14-5-2-3-7-16(14)22-17/h2-3,5,7-9,11,15,22H,4,6,10,12H2,1H3.
What are the key properties of 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122260670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).