2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

C19H28N4O3 — CID 135312585

IUPAC2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C19H28N4O3/c24-17(25)13-23-11-7-15(8-12-23)19(26)21-10-2-4-16-6-5-14-3-1-9-20-18(14)22-16/h5-6,15H,1-4,7-13H2,(H,20,22)(H,21,26)(H,24,25)
InChIKeyOWEWOKZBRQZBIN-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.29
Rot. Bonds7

About 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (PubChem CID 135312585) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
PubChem CID135312585
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C19H28N4O3/c24-17(25)13-23-11-7-15(8-12-23)19(26)21-10-2-4-16-6-5-14-3-1-9-20-18(14)22-16/h5-6,15H,1-4,7-13H2,(H,20,22)(H,21,26)(H,24,25)
InChIKeyOWEWOKZBRQZBIN-UHFFFAOYSA-N
XLogP1.29
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (CID 135312585) is 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1.
What is the InChIKey of 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
The InChIKey is OWEWOKZBRQZBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-17(25)13-23-11-7-15(8-12-23)19(26)21-10-2-4-16-6-5-14-3-1-9-20-18(14)22-16/h5-6,15H,1-4,7-13H2,(H,20,22)(H,21,26)(H,24,25).
What are the key properties of 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?
2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 360.46 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135312585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).