[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone

C19H20ClN3O3 — CID 7283234

IUPAC[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C)cc1
InChIInChI=1S/C19H20ClN3O3/c1-13-3-5-15(6-4-13)19(24)22-10-9-21(12-14(22)2)17-8-7-16(20)11-18(17)23(25)26/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyKKUXIRBMWNDCHJ-CQSZACIVSA-N
MW373.84 g/mol
LogP3.91
Rot. Bonds3

About [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone

[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 7283234) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID7283234
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C)cc1
InChIInChI=1S/C19H20ClN3O3/c1-13-3-5-15(6-4-13)19(24)22-10-9-21(12-14(22)2)17-8-7-16(20)11-18(17)23(25)26/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyKKUXIRBMWNDCHJ-CQSZACIVSA-N
XLogP3.91
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.91
H-Bond Donors ≤ 50
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

[(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 11881636
[(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 7289674
(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazin-4-ium
CID 7070875
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-methylbenzamide
CID 2893589
1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 103896080
(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine
CID 7070876
(NE)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]methylidene]hydroxylamine
CID 135938349
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]methylidene]hydroxylamine
CID 135641491
(4-chlorophenyl)-[2-methyl-4-[3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 42864786
[4-(4-chloro-2-nitrobenzoyl)-2,5-dimethylpiperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone
CID 4601301
1,4-bis(4-chloro-2-nitrophenyl)-1,4-diazepane
CID 3094079

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone (CID 7283234) is [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C)cc1.
What is the InChIKey of [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is KKUXIRBMWNDCHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-3-5-15(6-4-13)19(24)22-10-9-21(12-14(22)2)17-8-7-16(20)11-18(17)23(25)26/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone?
[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 373.84 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 7283234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).