[2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H30FN3O2 — CID 70332639

IUPAC[2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2=CCC(CN3CCC(F)CC3)O2)CC1
InChIInChI=1S/C18H30FN3O2/c1-14(2)21-9-11-22(12-10-21)18(23)17-4-3-16(24-17)13-20-7-5-15(19)6-8-20/h4,14-16H,3,5-13H2,1-2H3
InChIKeyPZDSJTBQAXILSI-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.65
Rot. Bonds4

About [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 70332639) has the molecular formula C18H30FN3O2 and a molecular weight of 339.46 g/mol. Its IUPAC name is [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID70332639
Molecular FormulaC18H30FN3O2
Molecular Weight339.46 g/mol
Exact Mass339.23
IUPAC Name[2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2=CCC(CN3CCC(F)CC3)O2)CC1
InChIInChI=1S/C18H30FN3O2/c1-14(2)21-9-11-22(12-10-21)18(23)17-4-3-16(24-17)13-20-7-5-15(19)6-8-20/h4,14-16H,3,5-13H2,1-2H3
InChIKeyPZDSJTBQAXILSI-UHFFFAOYSA-N
XLogP1.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 96569190
[2-[(2-Methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 70332282
2-methyl-6-{[2-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}-4H-pyran-4-one
CID 91781470
2-methyl-6-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one
CID 100087669
2-methyl-6-[(2S)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one
CID 100087672
3,4-dihydro-2H-pyran-6-yl-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]methanone
CID 137856558

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 70332639) is [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2=CCC(CN3CCC(F)CC3)O2)CC1.
What is the InChIKey of [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is PZDSJTBQAXILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O2/c1-14(2)21-9-11-22(12-10-21)18(23)17-4-3-16(24-17)13-20-7-5-15(19)6-8-20/h4,14-16H,3,5-13H2,1-2H3.
What are the key properties of [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 339.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70332639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).