N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H25FN2O2 — CID 120637838

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(C)c(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O2/c1-12-4-5-14(10-15(12)18)13(2)20-16(21)17(11-22-3)6-8-19-9-7-17/h4-5,10,13,19H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyJZMVIWSVAJUHBM-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.33
Rot. Bonds5

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120637838) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120637838
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(C)c(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O2/c1-12-4-5-14(10-15(12)18)13(2)20-16(21)17(11-22-3)6-8-19-9-7-17/h4-5,10,13,19H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyJZMVIWSVAJUHBM-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638103
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125443369
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120637838) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NC(C)c2ccc(C)c(F)c2)CCNCC1.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is JZMVIWSVAJUHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-4-5-14(10-15(12)18)13(2)20-16(21)17(11-22-3)6-8-19-9-7-17/h4-5,10,13,19H,6-9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120637838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).