N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide

C14H20N4O3 — CID 115553899

IUPACN,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide
SMILESCc1cccc([N+](=O)[O-])c1N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C14H20N4O3/c1-10-5-4-6-11(18(20)21)13(10)17-8-7-15-9-12(17)14(19)16(2)3/h4-6,12,15H,7-9H2,1-3H3
InChIKeyOXDIASRDAUWESC-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.77
Rot. Bonds3

About N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide

N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide (PubChem CID 115553899) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide
PubChem CID115553899
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide
SMILESCc1cccc([N+](=O)[O-])c1N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C14H20N4O3/c1-10-5-4-6-11(18(20)21)13(10)17-8-7-15-9-12(17)14(19)16(2)3/h4-6,12,15H,7-9H2,1-3H3
InChIKeyOXDIASRDAUWESC-UHFFFAOYSA-N
XLogP0.77
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.77
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

1-(2-methyl-6-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113333845
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
CID 133357599
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107711438
1-imidazo[1,2-a]pyridin-5-yl-N,N-dimethylpiperazine-2-carboxamide
CID 102626125
(2R)-2-methyl-1-(2-nitrophenyl)piperazine
CID 54528666
N,N-dimethyl-1-pyrazolo[1,5-a]pyrazin-4-ylpiperazine-2-carboxamide
CID 104732650
N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
CID 115553948
N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
CID 43602153
(3,4-dihydroxypyrrolidin-1-yl)-(2-methyl-6-nitrophenyl)methanone
CID 106671007
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 114600956

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide (CID 115553899) is N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide is Cc1cccc([N+](=O)[O-])c1N1CCNCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide?
The InChIKey is OXDIASRDAUWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-5-4-6-11(18(20)21)13(10)17-8-7-15-9-12(17)14(19)16(2)3/h4-6,12,15H,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide?
N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 115553899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).