2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid

C21H28N4O4 — CID 135312471

IUPAC2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)NCCC4)CC2)CC1=O
InChIInChI=1S/C21H28N4O4/c26-18-12-16(7-11-25(18)13-19(27)28)21(29)24-9-5-14(6-10-24)17-4-3-15-2-1-8-22-20(15)23-17/h3-4,14,16H,1-2,5-13H2,(H,22,23)(H,27,28)
InChIKeyIPZPXQVCJKOKCQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.47
Rot. Bonds4

About 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid

2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid (PubChem CID 135312471) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
PubChem CID135312471
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)NCCC4)CC2)CC1=O
InChIInChI=1S/C21H28N4O4/c26-18-12-16(7-11-25(18)13-19(27)28)21(29)24-9-5-14(6-10-24)17-4-3-15-2-1-8-22-20(15)23-17/h3-4,14,16H,1-2,5-13H2,(H,22,23)(H,27,28)
InChIKeyIPZPXQVCJKOKCQ-UHFFFAOYSA-N
XLogP1.47
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid (CID 135312471) is 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)NCCC4)CC2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The InChIKey is IPZPXQVCJKOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c26-18-12-16(7-11-25(18)13-19(27)28)21(29)24-9-5-14(6-10-24)17-4-3-15-2-1-8-22-20(15)23-17/h3-4,14,16H,1-2,5-13H2,(H,22,23)(H,27,28).
What are the key properties of 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid has a molecular weight of 400.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135312471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).