2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C23H36FN3O2 — CID 127036390

IUPAC2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2F)CC1
InChIInChI=1S/C23H36FN3O2/c1-16(2)26-11-7-18(8-12-26)25-23(28)21-6-5-20(15-22(21)24)29-19-9-13-27(14-10-19)17(3)4/h5-6,15-19H,7-14H2,1-4H3,(H,25,28)
InChIKeyYHDURFSITXROTD-UHFFFAOYSA-N
MW405.56 g/mol
LogP3.68
Rot. Bonds6

About 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 127036390) has the molecular formula C23H36FN3O2 and a molecular weight of 405.56 g/mol. Its IUPAC name is 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID127036390
Molecular FormulaC23H36FN3O2
Molecular Weight405.56 g/mol
Exact Mass405.28
IUPAC Name2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2F)CC1
InChIInChI=1S/C23H36FN3O2/c1-16(2)26-11-7-18(8-12-26)25-23(28)21-6-5-20(15-22(21)24)29-19-9-13-27(14-10-19)17(3)4/h5-6,15-19H,7-14H2,1-4H3,(H,25,28)
InChIKeyYHDURFSITXROTD-UHFFFAOYSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 127036390) is 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2F)CC1.
What is the InChIKey of 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is YHDURFSITXROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O2/c1-16(2)26-11-7-18(8-12-26)25-23(28)21-6-5-20(15-22(21)24)29-19-9-13-27(14-10-19)17(3)4/h5-6,15-19H,7-14H2,1-4H3,(H,25,28).
What are the key properties of 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 405.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 127036390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).