N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C22H24F2N2O2 — CID 55622815

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC(C)c3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C22H24F2N2O2/c1-14-5-7-16(8-6-14)22(28)26-11-3-4-17(13-26)21(27)25-15(2)19-10-9-18(23)12-20(19)24/h5-10,12,15,17H,3-4,11,13H2,1-2H3,(H,25,27)
InChIKeyDIWRZDPZIAGDIJ-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 55622815) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID55622815
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC(C)c3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C22H24F2N2O2/c1-14-5-7-16(8-6-14)22(28)26-11-3-4-17(13-26)21(27)25-15(2)19-10-9-18(23)12-20(19)24/h5-10,12,15,17H,3-4,11,13H2,1-2H3,(H,25,27)
InChIKeyDIWRZDPZIAGDIJ-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18143619
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119193921
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43012696
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 51923958

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 55622815) is N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NC(C)c3ccc(F)cc3F)C2)cc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is DIWRZDPZIAGDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-14-5-7-16(8-6-14)22(28)26-11-3-4-17(13-26)21(27)25-15(2)19-10-9-18(23)12-20(19)24/h5-10,12,15,17H,3-4,11,13H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55622815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).