methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate

C20H25NO3 — CID 58933893

IUPACmethyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H25NO3/c1-23-20(22)18-7-6-17-15-19(9-8-16(17)14-18)24-13-5-12-21-10-3-2-4-11-21/h6-9,14-15H,2-5,10-13H2,1H3
InChIKeyKVBZYUHOLFJLRS-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.88
Rot. Bonds6

About methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate

methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate (PubChem CID 58933893) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
PubChem CID58933893
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Namemethyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H25NO3/c1-23-20(22)18-7-6-17-15-19(9-8-16(17)14-18)24-13-5-12-21-10-3-2-4-11-21/h6-9,14-15H,2-5,10-13H2,1H3
InChIKeyKVBZYUHOLFJLRS-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
N-ethyl-6-(3-piperidin-1-ylpropoxy)-N-propan-2-ylnaphthalene-2-carboxamide
CID 69066079
N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070712
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
6-(3-pyrrolidin-1-ylpropoxy)-1-benzothiophene-2-carboxylic acid
CID 169229532
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
2,7-bis(3-piperidin-1-ylpropoxy)phenanthren-9-ol
CID 91179253
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
(4-methoxycarbonylphenyl) 6-heptoxynaphthalene-2-carboxylate
CID 90137749
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate?
The IUPAC name of methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate (CID 58933893) is methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate is COC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1.
What is the InChIKey of methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate?
The InChIKey is KVBZYUHOLFJLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-20(22)18-7-6-17-15-19(9-8-16(17)14-18)24-13-5-12-21-10-3-2-4-11-21/h6-9,14-15H,2-5,10-13H2,1H3.
What are the key properties of methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate?
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate has a molecular weight of 327.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate is sourced from PubChem (CID 58933893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).