2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

C20H27FN4O3 — CID 135312247

IUPAC2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(F)(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)C1
InChIInChI=1S/C20H27FN4O3/c21-20(12-24(13-20)11-17(26)27)19(28)25-8-5-14(6-9-25)10-16-4-3-15-2-1-7-22-18(15)23-16/h3-4,14H,1-2,5-13H2,(H,22,23)(H,26,27)
InChIKeySAOQDCKOIDGLOU-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.33
Rot. Bonds5

About 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (PubChem CID 135312247) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
PubChem CID135312247
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(F)(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)C1
InChIInChI=1S/C20H27FN4O3/c21-20(12-24(13-20)11-17(26)27)19(28)25-8-5-14(6-9-25)10-16-4-3-15-2-1-7-22-18(15)23-16/h3-4,14H,1-2,5-13H2,(H,22,23)(H,26,27)
InChIKeySAOQDCKOIDGLOU-UHFFFAOYSA-N
XLogP1.33
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The IUPAC name of 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (CID 135312247) is 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is O=C(O)CN1CC(F)(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)C1.
What is the InChIKey of 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The InChIKey is SAOQDCKOIDGLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c21-20(12-24(13-20)11-17(26)27)19(28)25-8-5-14(6-9-25)10-16-4-3-15-2-1-7-22-18(15)23-16/h3-4,14H,1-2,5-13H2,(H,22,23)(H,26,27).
What are the key properties of 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid has a molecular weight of 390.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 135312247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).