4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine

C15H16N4O2 — CID 66493923

IUPAC4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
SMILESO=[N+]([O-])c1cccc(-c2ccnc(N3CCCCC3)n2)c1
InChIInChI=1S/C15H16N4O2/c20-19(21)13-6-4-5-12(11-13)14-7-8-16-15(17-14)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2
InChIKeyGFHZWDCPNXCCFL-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.04
Rot. Bonds3

About 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine

4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine (PubChem CID 66493923) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
PubChem CID66493923
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
SMILESO=[N+]([O-])c1cccc(-c2ccnc(N3CCCCC3)n2)c1
InChIInChI=1S/C15H16N4O2/c20-19(21)13-6-4-5-12(11-13)14-7-8-16-15(17-14)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2
InChIKeyGFHZWDCPNXCCFL-UHFFFAOYSA-N
XLogP3.04
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
CID 66493906
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
CID 52903888
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-[4-(3-fluorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 103279542
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326
N-(4-fluorophenyl)-4-(3-nitrophenyl)pyrimidin-2-amine
CID 11673977
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine (CID 66493923) is 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine is O=[N+]([O-])c1cccc(-c2ccnc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine?
The InChIKey is GFHZWDCPNXCCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-19(21)13-6-4-5-12(11-13)14-7-8-16-15(17-14)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2.
What are the key properties of 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine?
4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine has a molecular weight of 284.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 66493923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).