N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide

C21H28N2O2 — CID 69070873

IUPACN-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
SMILESCCNC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1
InChIInChI=1S/C21H28N2O2/c1-2-22-21(24)19-8-7-18-16-20(10-9-17(18)15-19)25-14-6-13-23-11-4-3-5-12-23/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,24)
InChIKeyFAWRHNPELJOTKV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.84
Rot. Bonds7

About N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide

N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide (PubChem CID 69070873) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
PubChem CID69070873
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
SMILESCCNC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1
InChIInChI=1S/C21H28N2O2/c1-2-22-21(24)19-8-7-18-16-20(10-9-17(18)15-19)25-14-6-13-23-11-4-3-5-12-23/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,24)
InChIKeyFAWRHNPELJOTKV-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
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
N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride
CID 11698750
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 90935627
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
CID 143299998
2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 142876314
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
The IUPAC name of N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide (CID 69070873) is N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide is CCNC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1.
What is the InChIKey of N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
The InChIKey is FAWRHNPELJOTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-22-21(24)19-8-7-18-16-20(10-9-17(18)15-19)25-14-6-13-23-11-4-3-5-12-23/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,24).
What are the key properties of N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 69070873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).