N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide

C14H20N4O4 — CID 154338741

IUPACN-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC1C
InChIInChI=1S/C14H20N4O4/c1-10-9-16(2)6-7-17(10)14(19)15-12-5-4-11(18(20)21)8-13(12)22-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,19)
InChIKeyGRAREPWPGKRUMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.77
Rot. Bonds3

About N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide

N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 154338741) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide
PubChem CID154338741
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC1C
InChIInChI=1S/C14H20N4O4/c1-10-9-16(2)6-7-17(10)14(19)15-12-5-4-11(18(20)21)8-13(12)22-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,19)
InChIKeyGRAREPWPGKRUMS-UHFFFAOYSA-N
XLogP1.77
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.77
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

(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7477454
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8900035
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide
CID 19653667
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 2956761
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide (CID 154338741) is N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC1C.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is GRAREPWPGKRUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-10-9-16(2)6-7-17(10)14(19)15-12-5-4-11(18(20)21)8-13(12)22-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,19).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide?
N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 154338741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).