(5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone

C14H19N3O4 — CID 102740295

IUPAC(5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O4/c1-2-5-15-6-8-16(9-7-15)14(19)12-10-11(18)3-4-13(12)17(20)21/h3-4,10,18H,2,5-9H2,1H3
InChIKeyBYCWSUXCQWIFSA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.47
Rot. Bonds4

About (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone

(5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 102740295) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID102740295
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O4/c1-2-5-15-6-8-16(9-7-15)14(19)12-10-11(18)3-4-13(12)17(20)21/h3-4,10,18H,2,5-9H2,1H3
InChIKeyBYCWSUXCQWIFSA-UHFFFAOYSA-N
XLogP1.47
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.47
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

azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65461227
[4-(2-chloroethyl)piperazin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65460843
[4-(2-bromoethyl)piperazin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 80661927
(3-chloro-4-nitrophenyl)-(4-propylpiperazin-1-yl)methanone
CID 82775240
(5-fluoro-2-nitrophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60876774
(3,3-dimethylpiperidin-1-yl)-(5-hydroxy-2-nitrophenyl)methanone
CID 102741873
1-(5-hydroxy-2-nitrobenzoyl)-1,4-diazepan-5-one
CID 102741784
(5-fluoro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 60875443
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone (CID 102740295) is (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is BYCWSUXCQWIFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-5-15-6-8-16(9-7-15)14(19)12-10-11(18)3-4-13(12)17(20)21/h3-4,10,18H,2,5-9H2,1H3.
What are the key properties of (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone?
(5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 293.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-nitrophenyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 102740295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).