N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H25FN2O3 — CID 120630988

IUPACN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2ccc(OC)c(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O3/c1-22-12-17(6-9-19-10-7-17)16(21)20-8-5-13-3-4-15(23-2)14(18)11-13/h3-4,11,19H,5-10,12H2,1-2H3,(H,20,21)
InChIKeyWEPOSDGKFIYQHB-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120630988) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120630988
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2ccc(OC)c(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O3/c1-22-12-17(6-9-19-10-7-17)16(21)20-8-5-13-3-4-15(23-2)14(18)11-13/h3-4,11,19H,5-10,12H2,1-2H3,(H,20,21)
InChIKeyWEPOSDGKFIYQHB-UHFFFAOYSA-N
XLogP1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
4-(methoxymethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120631667
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 120618507
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120630988) is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCCc2ccc(OC)c(F)c2)CCNCC1.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is WEPOSDGKFIYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-22-12-17(6-9-19-10-7-17)16(21)20-8-5-13-3-4-15(23-2)14(18)11-13/h3-4,11,19H,5-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120630988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).