(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

C24H24N4O2 — CID 154583941

IUPAC(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C24H24N4O2/c29-22(24(10-11-24)20-4-2-1-3-5-20)28-14-8-21(9-15-28)30-23-26-16-19(17-27-23)18-6-12-25-13-7-18/h1-7,12-13,16-17,21H,8-11,14-15H2
InChIKeyATDQYRSFNTXSHE-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.64
Rot. Bonds5

About (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 154583941) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID154583941
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C24H24N4O2/c29-22(24(10-11-24)20-4-2-1-3-5-20)28-14-8-21(9-15-28)30-23-26-16-19(17-27-23)18-6-12-25-13-7-18/h1-7,12-13,16-17,21H,8-11,14-15H2
InChIKeyATDQYRSFNTXSHE-UHFFFAOYSA-N
XLogP3.64
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583874
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 139023150
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110103059
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
CID 154583495

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 154583941) is (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is O=C(N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is ATDQYRSFNTXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-22(24(10-11-24)20-4-2-1-3-5-20)28-14-8-21(9-15-28)30-23-26-16-19(17-27-23)18-6-12-25-13-7-18/h1-7,12-13,16-17,21H,8-11,14-15H2.
What are the key properties of (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 400.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 154583941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).