N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide

C20H22N4O4 — CID 47064625

IUPACN-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22N4O4/c1-22(16-8-6-14(7-9-16)19(21)25)20(26)15-10-12-23(13-11-15)17-4-2-3-5-18(17)24(27)28/h2-9,15H,10-13H2,1H3,(H2,21,25)
InChIKeyFGDKDKXHOIJIJL-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.57
Rot. Bonds5

About N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 47064625) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID47064625
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22N4O4/c1-22(16-8-6-14(7-9-16)19(21)25)20(26)15-10-12-23(13-11-15)17-4-2-3-5-18(17)24(27)28/h2-9,15H,10-13H2,1H3,(H2,21,25)
InChIKeyFGDKDKXHOIJIJL-UHFFFAOYSA-N
XLogP2.57
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.57
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

N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-phenylbenzamide
CID 2960327
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
1-(4-chloro-2-nitrophenyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methylpiperidine-4-carboxamide
CID 58867085
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 32636358
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 31846735
N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
CID 9182641
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431366
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 40954386
[2-(azepan-1-yl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794254
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 47064625) is N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide is CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is FGDKDKXHOIJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-22(16-8-6-14(7-9-16)19(21)25)20(26)15-10-12-23(13-11-15)17-4-2-3-5-18(17)24(27)28/h2-9,15H,10-13H2,1H3,(H2,21,25).
What are the key properties of N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47064625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).