1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

C14H18N4O4 — CID 2919057

IUPAC1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H18N4O4/c15-14(20)10-5-7-17(8-6-10)9-13(19)16-11-3-1-2-4-12(11)18(21)22/h1-4,10H,5-9H2,(H2,15,20)(H,16,19)
InChIKeyMVMIUNOGXSIZAC-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.73
Rot. Bonds5

About 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2919057) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2919057
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H18N4O4/c15-14(20)10-5-7-17(8-6-10)9-13(19)16-11-3-1-2-4-12(11)18(21)22/h1-4,10H,5-9H2,(H2,15,20)(H,16,19)
InChIKeyMVMIUNOGXSIZAC-UHFFFAOYSA-N
XLogP0.73
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.73
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

2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-[[3-[3-(2-nitroanilino)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55767843
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide;hydrochloride
CID 23323553
ethyl 1-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 2919057) is 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is MVMIUNOGXSIZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c15-14(20)10-5-7-17(8-6-10)9-13(19)16-11-3-1-2-4-12(11)18(21)22/h1-4,10H,5-9H2,(H2,15,20)(H,16,19).
What are the key properties of 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2919057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).