N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C20H18FN3O2 — CID 17223693

IUPACN-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H18FN3O2/c21-17-6-3-5-15(12-17)20(26)24-10-8-14(9-11-24)19(25)23-18-7-2-1-4-16(18)13-22/h1-7,12,14H,8-11H2,(H,23,25)
InChIKeyDKQLISGUGHBUMQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.19
Rot. Bonds3

About N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17223693) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17223693
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H18FN3O2/c21-17-6-3-5-15(12-17)20(26)24-10-8-14(9-11-24)19(25)23-18-7-2-1-4-16(18)13-22/h1-7,12,14H,8-11H2,(H,23,25)
InChIKeyDKQLISGUGHBUMQ-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

1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-fluorobenzoyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17223700
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
1-(3-fluorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223630

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 17223693) is N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is N#Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is DKQLISGUGHBUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-6-3-5-15(12-17)20(26)24-10-8-14(9-11-24)19(25)23-18-7-2-1-4-16(18)13-22/h1-7,12,14H,8-11H2,(H,23,25).
What are the key properties of N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-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-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).