[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone

C21H25FN4O2 — CID 46971656

IUPAC[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCCCC2)nc1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c22-17-4-6-18(7-5-17)28-19-8-12-25(13-9-19)20(27)16-14-23-21(24-15-16)26-10-2-1-3-11-26/h4-7,14-15,19H,1-3,8-13H2
InChIKeyPIZPZYFMXDWGKN-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.29
Rot. Bonds4

About [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone

[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone (PubChem CID 46971656) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
PubChem CID46971656
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCCCC2)nc1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c22-17-4-6-18(7-5-17)28-19-8-12-25(13-9-19)20(27)16-14-23-21(24-15-16)26-10-2-1-3-11-26/h4-7,14-15,19H,1-3,8-13H2
InChIKeyPIZPZYFMXDWGKN-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119133482
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone (CID 46971656) is [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCCCC2)nc1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone?
The InChIKey is PIZPZYFMXDWGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-17-4-6-18(7-5-17)28-19-8-12-25(13-9-19)20(27)16-14-23-21(24-15-16)26-10-2-1-3-11-26/h4-7,14-15,19H,1-3,8-13H2.
What are the key properties of [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone?
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone has a molecular weight of 384.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 46971656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).