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

C18H20N2O4 — CID 86841438

IUPACmethyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H20N2O4/c1-24-18(23)20-8-6-14(7-9-20)19-17(22)15-10-12-4-2-3-5-13(12)11-16(15)21/h2-5,10-11,14,21H,6-9H2,1H3,(H,19,22)
InChIKeyLXIGAGCHFBFLLA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.51
Rot. Bonds2

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

methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 86841438) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID86841438
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H20N2O4/c1-24-18(23)20-8-6-14(7-9-20)19-17(22)15-10-12-4-2-3-5-13(12)11-16(15)21/h2-5,10-11,14,21H,6-9H2,1H3,(H,19,22)
InChIKeyLXIGAGCHFBFLLA-UHFFFAOYSA-N
XLogP2.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-hydroxynaphthalene-2-carboxamide
CID 55690810
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778
methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 17398195
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
CID 108562900
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate (CID 86841438) is methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is LXIGAGCHFBFLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-18(23)20-8-6-14(7-9-20)19-17(22)15-10-12-4-2-3-5-13(12)11-16(15)21/h2-5,10-11,14,21H,6-9H2,1H3,(H,19,22).
What are the key properties of methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate?
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 86841438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).