1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C19H18N4O4 — CID 18095867

IUPAC1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C19H18N4O4/c20-12-14-11-15(23(26)27)5-6-17(14)22-9-7-13(8-10-22)19(25)21-16-3-1-2-4-18(16)24/h1-6,11,13,24H,7-10H2,(H,21,25)
InChIKeyZRWJNNQWISUYDI-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 18095867) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID18095867
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C19H18N4O4/c20-12-14-11-15(23(26)27)5-6-17(14)22-9-7-13(8-10-22)19(25)21-16-3-1-2-4-18(16)24/h1-6,11,13,24H,7-10H2,(H,21,25)
InChIKeyZRWJNNQWISUYDI-UHFFFAOYSA-N
XLogP3.03
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-(2-hydroxyphenyl)-1-(4-methylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 25360970
2-(4-hydroxypiperidin-1-yl)-5-nitrobenzonitrile
CID 17221373
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-nitrobenzonitrile
CID 18084845
2-(4-formylpiperidin-1-yl)-5-nitrobenzonitrile
CID 62662736
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-5-nitrobenzonitrile
CID 24651458
5-nitro-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzonitrile
CID 18280249
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17152713
2-[(3S)-3-aminopyrrolidin-1-yl]-5-nitrobenzonitrile
CID 67060532
2-(4-cyclopropylpiperazin-1-yl)-5-nitrobenzonitrile
CID 47453669
1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
CID 167954599

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 18095867) is 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is ZRWJNNQWISUYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c20-12-14-11-15(23(26)27)5-6-17(14)22-9-7-13(8-10-22)19(25)21-16-3-1-2-4-18(16)24/h1-6,11,13,24H,7-10H2,(H,21,25).
What are the key properties of 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 18095867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).