N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide

C22H29N5O2 — CID 42866628

IUPACN-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1nccnc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-22(2,3)21(29)26-19-18(23-11-12-24-19)20(28)25-17-9-13-27(14-10-17)15-16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyPORYBMQTJVOMJV-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.86
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide (PubChem CID 42866628) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
PubChem CID42866628
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1nccnc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-22(2,3)21(29)26-19-18(23-11-12-24-19)20(28)25-17-9-13-27(14-10-17)15-16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyPORYBMQTJVOMJV-UHFFFAOYSA-N
XLogP2.86
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 42853977
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
CID 42866734
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
CID 136519757
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
N-[2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110986633

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide (CID 42866628) is N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide is CC(C)(C)C(=O)Nc1nccnc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
The InChIKey is PORYBMQTJVOMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-22(2,3)21(29)26-19-18(23-11-12-24-19)20(28)25-17-9-13-27(14-10-17)15-16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3,(H,25,28)(H,24,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 42866628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).