1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C19H22FN5O2 — CID 47057526

IUPAC1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESNc1nccnc1C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C19H22FN5O2/c20-15-4-2-1-3-13(15)5-8-24-18(26)14-6-11-25(12-7-14)19(27)16-17(21)23-10-9-22-16/h1-4,9-10,14H,5-8,11-12H2,(H2,21,23)(H,24,26)
InChIKeyMYCXXIFKRQSXRR-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 47057526) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID47057526
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESNc1nccnc1C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C19H22FN5O2/c20-15-4-2-1-3-13(15)5-8-24-18(26)14-6-11-25(12-7-14)19(27)16-17(21)23-10-9-22-16/h1-4,9-10,14H,5-8,11-12H2,(H2,21,23)(H,24,26)
InChIKeyMYCXXIFKRQSXRR-UHFFFAOYSA-N
XLogP1.41
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 75418635
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[2-(2-fluorophenyl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 47056014
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 47057526) is 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is Nc1nccnc1C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MYCXXIFKRQSXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-15-4-2-1-3-13(15)5-8-24-18(26)14-6-11-25(12-7-14)19(27)16-17(21)23-10-9-22-16/h1-4,9-10,14H,5-8,11-12H2,(H2,21,23)(H,24,26).
What are the key properties of 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 47057526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).