4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide

C19H20N4O5 — CID 55692147

IUPAC4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1N1CCCCC1=O
InChIInChI=1S/C19H20N4O5/c1-28-17-8-6-13(11-16(17)22-9-3-2-4-18(22)24)21-19(25)12-5-7-14(20)15(10-12)23(26)27/h5-8,10-11H,2-4,9,20H2,1H3,(H,21,25)
InChIKeyOSXBAJDEIIRFAQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.95
Rot. Bonds5

About 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide

4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide (PubChem CID 55692147) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
PubChem CID55692147
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1N1CCCCC1=O
InChIInChI=1S/C19H20N4O5/c1-28-17-8-6-13(11-16(17)22-9-3-2-4-18(22)24)21-19(25)12-5-7-14(20)15(10-12)23(26)27/h5-8,10-11H,2-4,9,20H2,1H3,(H,21,25)
InChIKeyOSXBAJDEIIRFAQ-UHFFFAOYSA-N
XLogP2.95
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7687075
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 49412629

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide (CID 55692147) is 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide is COc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1N1CCCCC1=O.
What is the InChIKey of 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
The InChIKey is OSXBAJDEIIRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-28-17-8-6-13(11-16(17)22-9-3-2-4-18(22)24)21-19(25)12-5-7-14(20)15(10-12)23(26)27/h5-8,10-11H,2-4,9,20H2,1H3,(H,21,25).
What are the key properties of 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide has a molecular weight of 384.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 55692147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).