(1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate

C19H21FN2O3 — CID 75391374

IUPAC(1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate
SMILESCCCC(=O)N1CCC(OC(=O)c2cnc3ccc(F)cc3c2)CC1
InChIInChI=1S/C19H21FN2O3/c1-2-3-18(23)22-8-6-16(7-9-22)25-19(24)14-10-13-11-15(20)4-5-17(13)21-12-14/h4-5,10-12,16H,2-3,6-9H2,1H3
InChIKeyGWYYJWMVKSGWOJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.32
Rot. Bonds4

About (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate

(1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate (PubChem CID 75391374) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Name(1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate
PubChem CID75391374
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate
SMILESCCCC(=O)N1CCC(OC(=O)c2cnc3ccc(F)cc3c2)CC1
InChIInChI=1S/C19H21FN2O3/c1-2-3-18(23)22-8-6-16(7-9-22)25-19(24)14-10-13-11-15(20)4-5-17(13)21-12-14/h4-5,10-12,16H,2-3,6-9H2,1H3
InChIKeyGWYYJWMVKSGWOJ-UHFFFAOYSA-N
XLogP3.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate?
The IUPAC name of (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate (CID 75391374) is (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate?
The canonical SMILES for (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate is CCCC(=O)N1CCC(OC(=O)c2cnc3ccc(F)cc3c2)CC1.
What is the InChIKey of (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate?
The InChIKey is GWYYJWMVKSGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-3-18(23)22-8-6-16(7-9-22)25-19(24)14-10-13-11-15(20)4-5-17(13)21-12-14/h4-5,10-12,16H,2-3,6-9H2,1H3.
What are the key properties of (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate?
(1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butanoylpiperidin-4-yl) 6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 75391374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).