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

C21H21F3N2O2 — CID 18103430

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H21F3N2O2/c1-13(15-6-9-18(23)19(24)11-15)25-20(27)16-3-2-10-26(12-16)21(28)14-4-7-17(22)8-5-14/h4-9,11,13,16H,2-3,10,12H2,1H3,(H,25,27)
InChIKeyRXPXTYBRLMKUAL-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.83
Rot. Bonds4

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

N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 18103430) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID18103430
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H21F3N2O2/c1-13(15-6-9-18(23)19(24)11-15)25-20(27)16-3-2-10-26(12-16)21(28)14-4-7-17(22)8-5-14/h4-9,11,13,16H,2-3,10,12H2,1H3,(H,25,27)
InChIKeyRXPXTYBRLMKUAL-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18143619
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 51923958
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622815
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 41079088
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535126
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47033453

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 18103430) is N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is RXPXTYBRLMKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-13(15-6-9-18(23)19(24)11-15)25-20(27)16-3-2-10-26(12-16)21(28)14-4-7-17(22)8-5-14/h4-9,11,13,16H,2-3,10,12H2,1H3,(H,25,27).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 18103430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).