2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid

C16H19N3O4 — CID 166296162

IUPAC2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cnc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H19N3O4/c20-13-2-1-11-8-12(9-17-15(11)18-13)16(23)19-5-3-10(4-6-19)7-14(21)22/h8-10H,1-7H2,(H,21,22)(H,17,18,20)
InChIKeyMVLBOXQQYCMHRX-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.29
Rot. Bonds3

About 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 166296162) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID166296162
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cnc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H19N3O4/c20-13-2-1-11-8-12(9-17-15(11)18-13)16(23)19-5-3-10(4-6-19)7-14(21)22/h8-10H,1-7H2,(H,21,22)(H,17,18,20)
InChIKeyMVLBOXQQYCMHRX-UHFFFAOYSA-N
XLogP1.29
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid (CID 166296162) is 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2cnc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is MVLBOXQQYCMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-13-2-1-11-8-12(9-17-15(11)18-13)16(23)19-5-3-10(4-6-19)7-14(21)22/h8-10H,1-7H2,(H,21,22)(H,17,18,20).
What are the key properties of 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 166296162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).