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

C10H15N5O2 — CID 68553577

IUPAC4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide
SMILESCn1cnc(C(=O)N2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C10H15N5O2/c1-13-6-8(12-7-13)9(16)14-2-4-15(5-3-14)10(11)17/h6-7H,2-5H2,1H3,(H2,11,17)
InChIKeyBUYHSMDDPIWIMX-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.74
Rot. Bonds1

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

4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide (PubChem CID 68553577) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide
PubChem CID68553577
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide
SMILESCn1cnc(C(=O)N2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C10H15N5O2/c1-13-6-8(12-7-13)9(16)14-2-4-15(5-3-14)10(11)17/h6-7H,2-5H2,1H3,(H2,11,17)
InChIKeyBUYHSMDDPIWIMX-UHFFFAOYSA-N
XLogP-0.74
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide (CID 68553577) is 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide is Cn1cnc(C(=O)N2CCN(C(N)=O)CC2)c1.
What is the InChIKey of 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide?
The InChIKey is BUYHSMDDPIWIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-13-6-8(12-7-13)9(16)14-2-4-15(5-3-14)10(11)17/h6-7H,2-5H2,1H3,(H2,11,17).
What are the key properties of 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide?
4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazole-4-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 68553577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).