6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

C24H31FN4O2 — CID 110238278

IUPAC6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCC(C)N1CCC(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1
InChIInChI=1S/C24H31FN4O2/c1-15(2)28-10-7-16(8-11-28)24(31)29-9-3-4-17(14-29)22-20(23(26)30)13-18-12-19(25)5-6-21(18)27-22/h5-6,12-13,15-17H,3-4,7-11,14H2,1-2H3,(H2,26,30)
InChIKeyHWKISDWARJARKA-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.30
Rot. Bonds4

About 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238278) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238278
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCC(C)N1CCC(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1
InChIInChI=1S/C24H31FN4O2/c1-15(2)28-10-7-16(8-11-28)24(31)29-9-3-4-17(14-29)22-20(23(26)30)13-18-12-19(25)5-6-21(18)27-22/h5-6,12-13,15-17H,3-4,7-11,14H2,1-2H3,(H2,26,30)
InChIKeyHWKISDWARJARKA-UHFFFAOYSA-N
XLogP3.30
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (CID 110238278) is 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is CC(C)N1CCC(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1.
What is the InChIKey of 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is HWKISDWARJARKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-15(2)28-10-7-16(8-11-28)24(31)29-9-3-4-17(14-29)22-20(23(26)30)13-18-12-19(25)5-6-21(18)27-22/h5-6,12-13,15-17H,3-4,7-11,14H2,1-2H3,(H2,26,30).
What are the key properties of 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).