1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine

C15H20N6O2 — CID 133329602

IUPAC1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCc1cc(N2CCN(Cc3nccn3C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H20N6O2/c1-12-9-14(17-10-13(12)21(22)23)20-7-5-19(6-8-20)11-15-16-3-4-18(15)2/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyFQDZJVHBLNFXKC-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine

1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine (PubChem CID 133329602) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
PubChem CID133329602
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCc1cc(N2CCN(Cc3nccn3C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H20N6O2/c1-12-9-14(17-10-13(12)21(22)23)20-7-5-19(6-8-20)11-15-16-3-4-18(15)2/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyFQDZJVHBLNFXKC-UHFFFAOYSA-N
XLogP1.35
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanal
CID 87488643
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
1-(4-methyl-5-nitro-2-pyridinyl)-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 133329738
2-[[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133329495
2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455565
N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole
CID 75432040
1-(4-methylcyclohexyl)-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133339662
(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 133384407
4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 133460505
2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 83260152
1-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 75431404

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine (CID 133329602) is 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine is Cc1cc(N2CCN(Cc3nccn3C)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The InChIKey is FQDZJVHBLNFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12-9-14(17-10-13(12)21(22)23)20-7-5-19(6-8-20)11-15-16-3-4-18(15)2/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine has a molecular weight of 316.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 133329602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).