N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C16H22F2N2O2 — CID 120617899

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(F)cc2F)CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-11(13-4-3-12(17)9-14(13)18)20-15(21)16(10-22-2)5-7-19-8-6-16/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyMBVPXAYTJMLCRO-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.16
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120617899) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120617899
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(F)cc2F)CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-11(13-4-3-12(17)9-14(13)18)20-15(21)16(10-22-2)5-7-19-8-6-16/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyMBVPXAYTJMLCRO-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634751
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 63139722
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621945
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120647394
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120631268

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120617899) is N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NC(C)c2ccc(F)cc2F)CCNCC1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is MBVPXAYTJMLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11(13-4-3-12(17)9-14(13)18)20-15(21)16(10-22-2)5-7-19-8-6-16/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120617899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).