3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid

C21H25NO6 — CID 126573705

IUPAC3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid
SMILESCOC(=O)c1cc2cccc(OC3CCCN(C(=O)O)C3)c2cc1OC(C)C
InChIInChI=1S/C21H25NO6/c1-13(2)27-19-11-16-14(10-17(19)20(23)26-3)6-4-8-18(16)28-15-7-5-9-22(12-15)21(24)25/h4,6,8,10-11,13,15H,5,7,9,12H2,1-3H3,(H,24,25)
InChIKeyYUNVMTPRQHKKCZ-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.93
Rot. Bonds5

About 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid

3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid (PubChem CID 126573705) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid
PubChem CID126573705
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid
SMILESCOC(=O)c1cc2cccc(OC3CCCN(C(=O)O)C3)c2cc1OC(C)C
InChIInChI=1S/C21H25NO6/c1-13(2)27-19-11-16-14(10-17(19)20(23)26-3)6-4-8-18(16)28-15-7-5-9-22(12-15)21(24)25/h4,6,8,10-11,13,15H,5,7,9,12H2,1-3H3,(H,24,25)
InChIKeyYUNVMTPRQHKKCZ-UHFFFAOYSA-N
XLogP3.93
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
CID 122512313
butyl 3-(6-carbamoyl-7-propan-2-yloxyisoquinolin-1-yl)oxypiperidine-1-carboxylate
CID 126573738
3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid
CID 122512292
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
CID 126573701
3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid
CID 126573613
methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 4-cyclopropyl-2-propan-2-yloxybenzoate
CID 90423653
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid (CID 126573705) is 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid is COC(=O)c1cc2cccc(OC3CCCN(C(=O)O)C3)c2cc1OC(C)C.
What is the InChIKey of 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is YUNVMTPRQHKKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-13(2)27-19-11-16-14(10-17(19)20(23)26-3)6-4-8-18(16)28-15-7-5-9-22(12-15)21(24)25/h4,6,8,10-11,13,15H,5,7,9,12H2,1-3H3,(H,24,25).
What are the key properties of 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid?
3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 387.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 126573705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).