1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide

C10H15N5O2 — CID 107973355

IUPAC1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide
SMILESCn1cnc(C(=O)N2CCNCC2C(N)=O)c1
InChIInChI=1S/C10H15N5O2/c1-14-5-7(13-6-14)10(17)15-3-2-12-4-8(15)9(11)16/h5-6,8,12H,2-4H2,1H3,(H2,11,16)
InChIKeyBRIOZNPAXOGSIU-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.68
Rot. Bonds2

About 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide

1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide (PubChem CID 107973355) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide
PubChem CID107973355
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide
SMILESCn1cnc(C(=O)N2CCNCC2C(N)=O)c1
InChIInChI=1S/C10H15N5O2/c1-14-5-7(13-6-14)10(17)15-3-2-12-4-8(15)9(11)16/h5-6,8,12H,2-4H2,1H3,(H2,11,16)
InChIKeyBRIOZNPAXOGSIU-UHFFFAOYSA-N
XLogP-1.68
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide (CID 107973355) is 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide is Cn1cnc(C(=O)N2CCNCC2C(N)=O)c1.
What is the InChIKey of 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is BRIOZNPAXOGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-14-5-7(13-6-14)10(17)15-3-2-12-4-8(15)9(11)16/h5-6,8,12H,2-4H2,1H3,(H2,11,16).
What are the key properties of 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide?
1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 107973355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).