[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone

C15H20N2O4 — CID 65463040

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C15H20N2O4/c1-11-4-5-14(17(20)21)13(9-11)15(19)16-7-2-3-12(10-16)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
InChIKeyAWNVQTDYXHQTHQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.14
Rot. Bonds4

About [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone (PubChem CID 65463040) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
PubChem CID65463040
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C15H20N2O4/c1-11-4-5-14(17(20)21)13(9-11)15(19)16-7-2-3-12(10-16)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
InChIKeyAWNVQTDYXHQTHQ-UHFFFAOYSA-N
XLogP2.14
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone 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

[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(3-chloropiperidin-1-yl)-(5-methyl-2-nitrophenyl)methanone
CID 65460845
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 115746394
N-(2-aminoethyl)-1-(5-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119480572
[3-(bromomethyl)piperidin-1-yl]-(5-fluoro-2-nitrophenyl)methanone
CID 80660098
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65461227
(5-chloro-2-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204730
(5-fluoro-2-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206549
[3-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186874

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone (CID 65463040) is [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone is Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC(CCO)C2)c1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
The InChIKey is AWNVQTDYXHQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-4-5-14(17(20)21)13(9-11)15(19)16-7-2-3-12(10-16)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone has a molecular weight of 292.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone is sourced from PubChem (CID 65463040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).