N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

C19H22N4O4 — CID 2958014

IUPACN-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H22N4O4/c1-14-3-8-18(27-2)17(13-14)20-19(24)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyVNSIFUGXNIAYRD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.27
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 2958014) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID2958014
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H22N4O4/c1-14-3-8-18(27-2)17(13-14)20-19(24)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyVNSIFUGXNIAYRD-UHFFFAOYSA-N
XLogP3.27
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
(E)-3-(2-methoxy-5-methylphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 7601941
4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 2956761
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
N-(2,3-dimethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3839304
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
(E)-but-2-enedioic acid;N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 67663218
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 2958014) is N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is VNSIFUGXNIAYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-14-3-8-18(27-2)17(13-14)20-19(24)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2958014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).