3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C18H20FN5O2 — CID 119374719

IUPAC3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESNC1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN5O2/c19-13-3-1-12(2-4-13)11-23-17(25)15-16(22-8-7-21-15)18(26)24-9-5-14(20)6-10-24/h1-4,7-8,14H,5-6,9-11,20H2,(H,23,25)
InChIKeyYYWPOTZLFSWDSP-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.11
Rot. Bonds4

About 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 119374719) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID119374719
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESNC1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN5O2/c19-13-3-1-12(2-4-13)11-23-17(25)15-16(22-8-7-21-15)18(26)24-9-5-14(20)6-10-24/h1-4,7-8,14H,5-6,9-11,20H2,(H,23,25)
InChIKeyYYWPOTZLFSWDSP-UHFFFAOYSA-N
XLogP1.11
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(aminomethyl)piperidine-1-carbonyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 119423403
3-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 102557220
2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide
CID 120601681
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
methyl 2-[[[3-[(4-fluorophenyl)methylcarbamoyl]pyrazine-2-carbonyl]amino]carbamoylamino]acetate
CID 75452210
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 119374719) is 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is NC1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is YYWPOTZLFSWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-13-3-1-12(2-4-13)11-23-17(25)15-16(22-8-7-21-15)18(26)24-9-5-14(20)6-10-24/h1-4,7-8,14H,5-6,9-11,20H2,(H,23,25).
What are the key properties of 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119374719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).