N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride

C28H34ClFN2O2 — CID 11698750

IUPACN-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1F)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1.Cl
InChIInChI=1S/C28H33FN2O2.ClH/c1-2-31(21-25-9-4-5-10-27(25)29)28(32)24-12-11-23-20-26(14-13-22(23)19-24)33-18-8-17-30-15-6-3-7-16-30;/h4-5,9-14,19-20H,2-3,6-8,15-18,21H2,1H3;1H
InChIKeyNCORSQNSXZRMKE-UHFFFAOYSA-N
MW485.04 g/mol
LogP6.32
Rot. Bonds9

About N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride

N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride (PubChem CID 11698750) has the molecular formula C28H34ClFN2O2 and a molecular weight of 485.04 g/mol. Its IUPAC name is N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride
PubChem CID11698750
Molecular FormulaC28H34ClFN2O2
Molecular Weight485.04 g/mol
Exact Mass484.23
IUPAC NameN-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1F)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1.Cl
InChIInChI=1S/C28H33FN2O2.ClH/c1-2-31(21-25-9-4-5-10-27(25)29)28(32)24-12-11-23-20-26(14-13-22(23)19-24)33-18-8-17-30-15-6-3-7-16-30;/h4-5,9-14,19-20H,2-3,6-8,15-18,21H2,1H3;1H
InChIKeyNCORSQNSXZRMKE-UHFFFAOYSA-N
XLogP6.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.04
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-N-propan-2-ylnaphthalene-2-carboxamide
CID 69066079
N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070712
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
CID 142864877
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
CID 59250200
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride (CID 11698750) is N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride is CCN(Cc1ccccc1F)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1.Cl.
What is the InChIKey of N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is NCORSQNSXZRMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O2.ClH/c1-2-31(21-25-9-4-5-10-27(25)29)28(32)24-12-11-23-20-26(14-13-22(23)19-24)33-18-8-17-30-15-6-3-7-16-30;/h4-5,9-14,19-20H,2-3,6-8,15-18,21H2,1H3;1H.
What are the key properties of N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride?
N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 485.04 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 11698750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).