N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C20H18FN3O2 — CID 51271965

IUPACN-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H18FN3O2/c21-17-8-6-15(7-9-17)20(26)24-10-2-4-16(13-24)19(25)23-18-5-1-3-14(11-18)12-22/h1,3,5-9,11,16H,2,4,10,13H2,(H,23,25)
InChIKeyQXTXAOHZNWUFAE-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.19
Rot. Bonds3

About N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 51271965) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID51271965
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H18FN3O2/c21-17-8-6-15(7-9-17)20(26)24-10-2-4-16(13-24)19(25)23-18-5-1-3-14(11-18)12-22/h1,3,5-9,11,16H,2,4,10,13H2,(H,23,25)
InChIKeyQXTXAOHZNWUFAE-UHFFFAOYSA-N
XLogP3.19
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457
(3R)-N-(3-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 41091330
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46449131
benzyl 3-[(3-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110678535
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 51271965) is N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is N#Cc1cccc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is QXTXAOHZNWUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-8-6-15(7-9-17)20(26)24-10-2-4-16(13-24)19(25)23-18-5-1-3-14(11-18)12-22/h1,3,5-9,11,16H,2,4,10,13H2,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51271965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).