methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate

C18H19NO4 — CID 17398195

IUPACmethyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H19NO4/c1-23-18(22)12-6-8-19(9-7-12)17(21)15-10-13-4-2-3-5-14(13)11-16(15)20/h2-5,10-12,20H,6-9H2,1H3
InChIKeyBHEHRJOGPYZBNA-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.57
Rot. Bonds2

About methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate

methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 17398195) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
PubChem CID17398195
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H19NO4/c1-23-18(22)12-6-8-19(9-7-12)17(21)15-10-13-4-2-3-5-14(13)11-16(15)20/h2-5,10-12,20H,6-9H2,1H3
InChIKeyBHEHRJOGPYZBNA-UHFFFAOYSA-N
XLogP2.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728
(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
CID 62045780
(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 115667736
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
CID 86841438
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate (CID 17398195) is methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is BHEHRJOGPYZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-18(22)12-6-8-19(9-7-12)17(21)15-10-13-4-2-3-5-14(13)11-16(15)20/h2-5,10-12,20H,6-9H2,1H3.
What are the key properties of methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 17398195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).