[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

C20H25N5O3 — CID 109299007

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(c2nccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-15-5-8-25(9-6-15)20-21-7-4-16(22-20)18(26)23-10-12-24(13-11-23)19(27)17-3-2-14-28-17/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyMMVCBIXDJBXAPS-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.90
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109299007) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
PubChem CID109299007
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(c2nccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-15-5-8-25(9-6-15)20-21-7-4-16(22-20)18(26)23-10-12-24(13-11-23)19(27)17-3-2-14-28-17/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyMMVCBIXDJBXAPS-UHFFFAOYSA-N
XLogP1.90
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109310503
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299032
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309444

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (CID 109299007) is [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is CC1CCN(c2nccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is MMVCBIXDJBXAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-5-8-25(9-6-15)20-21-7-4-16(22-20)18(26)23-10-12-24(13-11-23)19(27)17-3-2-14-28-17/h2-4,7,14-15H,5-6,8-13H2,1H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109299007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).