ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate

C19H21NO4 — CID 134222495

IUPACethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C19H21NO4/c1-2-24-19(23)13-7-9-20(10-8-13)18(22)16-4-3-15-12-17(21)6-5-14(15)11-16/h3-6,11-13,21H,2,7-10H2,1H3
InChIKeyXSAIOEHGDIAXHV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds3

About ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 134222495) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
PubChem CID134222495
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C19H21NO4/c1-2-24-19(23)13-7-9-20(10-8-13)18(22)16-4-3-15-12-17(21)6-5-14(15)11-16/h3-6,11-13,21H,2,7-10H2,1H3
InChIKeyXSAIOEHGDIAXHV-UHFFFAOYSA-N
XLogP2.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 110766273
ethyl 1-[(7-hydroxyisoquinolin-3-yl)methyl]piperidine-4-carboxylate
CID 126757467
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate (CID 134222495) is ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3cc(O)ccc3c2)CC1.
What is the InChIKey of ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is XSAIOEHGDIAXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-19(23)13-7-9-20(10-8-13)18(22)16-4-3-15-12-17(21)6-5-14(15)11-16/h3-6,11-13,21H,2,7-10H2,1H3.
What are the key properties of ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 134222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).