(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone

C13H16N2O5 — CID 43393878

IUPAC(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H16N2O5/c1-20-12-5-4-9(15(18)19)7-11(12)13(17)14-6-2-3-10(16)8-14/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyUVZKRRLFLXMVNR-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.20
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone

(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone (PubChem CID 43393878) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
PubChem CID43393878
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H16N2O5/c1-20-12-5-4-9(15(18)19)7-11(12)13(17)14-6-2-3-10(16)8-14/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyUVZKRRLFLXMVNR-UHFFFAOYSA-N
XLogP1.20
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62247895
(3-hydroxypiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
CID 110878627
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-methoxy-5-nitrophenyl)methanone
CID 115746486
(4-aminopiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone;hydrochloride
CID 119376661
(2-methoxy-5-nitrophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542171
2-[acetyl-[1-(2-methoxy-5-nitrobenzoyl)azepan-4-yl]amino]acetic acid
CID 120606367
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(2-methoxy-5-nitrophenyl)methanone
CID 55955454
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 80701880
(3-hydroxypiperidin-1-yl)-(2-methoxy-6-nitrophenyl)methanone
CID 81421108
4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119250934
1-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021647
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methoxy-4-nitrophenyl)methanone
CID 114680210

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone (CID 43393878) is (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone is COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone?
The InChIKey is UVZKRRLFLXMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-12-5-4-9(15(18)19)7-11(12)13(17)14-6-2-3-10(16)8-14/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone?
(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone has a molecular weight of 280.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone is sourced from PubChem (CID 43393878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).