N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 119944880

IUPACN-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2(C)CCCNC2)cc1F.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-3-20-13-6-5-11(9-12(13)16)18-14(19)15(2)7-4-8-17-10-15;/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,19);1H
InChIKeyTULAMSDTNUJLRJ-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.97
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride

N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944880) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944880
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2(C)CCCNC2)cc1F.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-3-20-13-6-5-11(9-12(13)16)18-14(19)15(2)7-4-8-17-10-15;/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,19);1H
InChIKeyTULAMSDTNUJLRJ-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119944880) is N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride is CCOc1ccc(NC(=O)C2(C)CCCNC2)cc1F.Cl.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is TULAMSDTNUJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-3-20-13-6-5-11(9-12(13)16)18-14(19)15(2)7-4-8-17-10-15;/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).