1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine

C14H20N4O3 — CID 97004799

IUPAC1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine
SMILESCc1cc(N2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-11-8-14(15-9-13(11)18(19)20)17-5-3-16(4-6-17)12-2-7-21-10-12/h8-9,12H,2-7,10H2,1H3/t12-/m1/s1
InChIKeyHCEATAGLARIYCE-GFCCVEGCSA-N
MW292.34 g/mol
LogP1.21
Rot. Bonds3

About 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine

1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine (PubChem CID 97004799) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine
PubChem CID97004799
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine
SMILESCc1cc(N2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-11-8-14(15-9-13(11)18(19)20)17-5-3-16(4-6-17)12-2-7-21-10-12/h8-9,12H,2-7,10H2,1H3/t12-/m1/s1
InChIKeyHCEATAGLARIYCE-GFCCVEGCSA-N
XLogP1.21
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine?
The IUPAC name of 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine (CID 97004799) is 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine.
What is the SMILES notation for 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine?
The canonical SMILES for 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine is Cc1cc(N2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine?
The InChIKey is HCEATAGLARIYCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11-8-14(15-9-13(11)18(19)20)17-5-3-16(4-6-17)12-2-7-21-10-12/h8-9,12H,2-7,10H2,1H3/t12-/m1/s1.
What are the key properties of 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine?
1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine has a molecular weight of 292.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine is sourced from PubChem (CID 97004799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).