N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide

C14H19N3O4 — CID 107744396

IUPACN-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H19N3O4/c18-13-9-11(17(20)21)5-6-12(13)16-14(19)7-4-10-3-1-2-8-15-10/h5-6,9-10,15,18H,1-4,7-8H2,(H,16,19)
InChIKeyABMLNKINMHHYDX-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.16
Rot. Bonds5

About N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide

N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 107744396) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
PubChem CID107744396
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H19N3O4/c18-13-9-11(17(20)21)5-6-12(13)16-14(19)7-4-10-3-1-2-8-15-10/h5-6,9-10,15,18H,1-4,7-8H2,(H,16,19)
InChIKeyABMLNKINMHHYDX-UHFFFAOYSA-N
XLogP2.16
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107335001
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 82865738
4-nitro-2-(piperidin-2-ylmethyl)phenol
CID 117344884
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
CID 62211574
N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
CID 107745481
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide (CID 107744396) is N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is ABMLNKINMHHYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-13-9-11(17(20)21)5-6-12(13)16-14(19)7-4-10-3-1-2-8-15-10/h5-6,9-10,15,18H,1-4,7-8H2,(H,16,19).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 293.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 107744396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).