1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid

C25H35N3O3 — CID 172739912

IUPAC1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCC(Oc2ccc3ccc(CN4CCC(C(=O)O)CC4)nc3n2)CC1
InChIInChI=1S/C25H35N3O3/c1-25(2,3)19-6-9-21(10-7-19)31-22-11-5-17-4-8-20(26-23(17)27-22)16-28-14-12-18(13-15-28)24(29)30/h4-5,8,11,18-19,21H,6-7,9-10,12-16H2,1-3H3,(H,29,30)
InChIKeyIYLOXPSDHBHSRQ-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.91
Rot. Bonds5

About 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid

1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 172739912) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID172739912
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCC(Oc2ccc3ccc(CN4CCC(C(=O)O)CC4)nc3n2)CC1
InChIInChI=1S/C25H35N3O3/c1-25(2,3)19-6-9-21(10-7-19)31-22-11-5-17-4-8-20(26-23(17)27-22)16-28-14-12-18(13-15-28)24(29)30/h4-5,8,11,18-19,21H,6-7,9-10,12-16H2,1-3H3,(H,29,30)
InChIKeyIYLOXPSDHBHSRQ-UHFFFAOYSA-N
XLogP4.91
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid (CID 172739912) is 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid is CC(C)(C)C1CCC(Oc2ccc3ccc(CN4CCC(C(=O)O)CC4)nc3n2)CC1.
What is the InChIKey of 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is IYLOXPSDHBHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-25(2,3)19-6-9-21(10-7-19)31-22-11-5-17-4-8-20(26-23(17)27-22)16-28-14-12-18(13-15-28)24(29)30/h4-5,8,11,18-19,21H,6-7,9-10,12-16H2,1-3H3,(H,29,30).
What are the key properties of 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 425.57 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 172739912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).