methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

C17H25N5O4 — CID 42853977

IUPACmethyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H25N5O4/c1-17(2,3)15(24)21-13-12(18-7-8-19-13)14(23)20-11-5-9-22(10-6-11)16(25)26-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,23)(H,19,21,24)
InChIKeyIXOLBNHPZHZLAO-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.42
Rot. Bonds3

About methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 42853977) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID42853977
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Namemethyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H25N5O4/c1-17(2,3)15(24)21-13-12(18-7-8-19-13)14(23)20-11-5-9-22(10-6-11)16(25)26-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,23)(H,19,21,24)
InChIKeyIXOLBNHPZHZLAO-UHFFFAOYSA-N
XLogP1.42
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (CID 42853977) is methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is IXOLBNHPZHZLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-17(2,3)15(24)21-13-12(18-7-8-19-13)14(23)20-11-5-9-22(10-6-11)16(25)26-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,23)(H,19,21,24).
What are the key properties of methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42853977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).