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

C22H30N4O4 — CID 135312314

IUPAC2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)CC1=O
InChIInChI=1S/C22H30N4O4/c27-19-13-17(7-11-26(19)14-20(28)29)22(30)25-9-5-15(6-10-25)12-18-4-3-16-2-1-8-23-21(16)24-18/h3-4,15,17H,1-2,5-14H2,(H,23,24)(H,28,29)
InChIKeyXYQNRFCXKCWWFO-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.54
Rot. Bonds5

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

2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid (PubChem CID 135312314) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)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-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
PubChem CID135312314
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)CC1=O
InChIInChI=1S/C22H30N4O4/c27-19-13-17(7-11-26(19)14-20(28)29)22(30)25-9-5-15(6-10-25)12-18-4-3-16-2-1-8-23-21(16)24-18/h3-4,15,17H,1-2,5-14H2,(H,23,24)(H,28,29)
InChIKeyXYQNRFCXKCWWFO-UHFFFAOYSA-N
XLogP1.54
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.54
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-ylmethyl)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-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid (CID 135312314) is 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)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-ylmethyl)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-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(=O)N2CCC(Cc3ccc4c(n3)NCCC4)CC2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The InChIKey is XYQNRFCXKCWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c27-19-13-17(7-11-26(19)14-20(28)29)22(30)25-9-5-15(6-10-25)12-18-4-3-16-2-1-8-23-21(16)24-18/h3-4,15,17H,1-2,5-14H2,(H,23,24)(H,28,29).
What are the key properties of 2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
2-[2-oxo-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid has a molecular weight of 414.51 g/mol, XLogP of 1.54, 5 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-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135312314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).