(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone

C11H12ClN3O3 — CID 43088523

IUPAC(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCNCC1
InChIInChI=1S/C11H12ClN3O3/c12-8-1-2-10(15(17)18)9(7-8)11(16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyNMYKDWLADXMZRC-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.29
Rot. Bonds2

About (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone

(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone (PubChem CID 43088523) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone
PubChem CID43088523
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCNCC1
InChIInChI=1S/C11H12ClN3O3/c12-8-1-2-10(15(17)18)9(7-8)11(16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyNMYKDWLADXMZRC-UHFFFAOYSA-N
XLogP1.29
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.29
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'}

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Related Compounds

(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(5-chloro-2-nitrophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581677
(4-bromopiperidin-1-yl)-(5-chloro-2-nitrophenyl)methanone
CID 80662676
(5-chloro-2-nitrophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052709
(5-chloro-2-nitrophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 1221491
(5-chloro-2-nitrophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560237
(2-nitrophenyl)-piperazin-1-ylmethanone;piperazine
CID 174837455
(5-chloro-2-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216619
(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917930
(5-chloro-2-nitrophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 61051925
(5-chloro-2-nitrophenyl)-(4-methylazepan-1-yl)methanone
CID 62045948

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone?
The IUPAC name of (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone (CID 43088523) is (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone is O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCNCC1.
What is the InChIKey of (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone?
The InChIKey is NMYKDWLADXMZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-8-1-2-10(15(17)18)9(7-8)11(16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone?
(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone has a molecular weight of 269.69 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 43088523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).