N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

C23H27F2N3O2 — CID 16909878

IUPACN-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCc3c(F)cccc3F)CC2)cc1C
InChIInChI=1S/C23H27F2N3O2/c1-15-6-7-18(12-16(15)2)27-22(29)14-28-10-8-17(9-11-28)23(30)26-13-19-20(24)4-3-5-21(19)25/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNUDRQNHROVRZRV-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.55
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909878) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909878
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCc3c(F)cccc3F)CC2)cc1C
InChIInChI=1S/C23H27F2N3O2/c1-15-6-7-18(12-16(15)2)27-22(29)14-28-10-8-17(9-11-28)23(30)26-13-19-20(24)4-3-5-21(19)25/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNUDRQNHROVRZRV-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16812707
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909803
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
CID 23724353
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112841618

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909878) is N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3c(F)cccc3F)CC2)cc1C.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is NUDRQNHROVRZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-15-6-7-18(12-16(15)2)27-22(29)14-28-10-8-17(9-11-28)23(30)26-13-19-20(24)4-3-5-21(19)25/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).