N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C20H22N4O4 — CID 32636358

IUPACN-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C20H22N4O4/c21-19(25)16-5-3-4-14(12-16)13-22-20(26)15-8-10-23(11-9-15)17-6-1-2-7-18(17)24(27)28/h1-7,12,15H,8-11,13H2,(H2,21,25)(H,22,26)
InChIKeyCJCJBKVSBJMKAG-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.23
Rot. Bonds6

About N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 32636358) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID32636358
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C20H22N4O4/c21-19(25)16-5-3-4-14(12-16)13-22-20(26)15-8-10-23(11-9-15)17-6-1-2-7-18(17)24(27)28/h1-7,12,15H,8-11,13H2,(H2,21,25)(H,22,26)
InChIKeyCJCJBKVSBJMKAG-UHFFFAOYSA-N
XLogP2.23
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
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)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 55619983
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46579766
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55812319
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55728023
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 87041286
N-benzyl-1-(4-cyano-2-nitrophenyl)piperidine-4-carboxamide
CID 27818192
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-benzyl-1-(4-methylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 27818193
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 32636358) is N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is NC(=O)c1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is CJCJBKVSBJMKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c21-19(25)16-5-3-4-14(12-16)13-22-20(26)15-8-10-23(11-9-15)17-6-1-2-7-18(17)24(27)28/h1-7,12,15H,8-11,13H2,(H2,21,25)(H,22,26).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 32636358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).