2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide

C14H15N5O5 — CID 168523677

IUPAC2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O5/c15-5-4-14(20)16-10-8-12(17-6-2-1-3-7-17)13(19(23)24)9-11(10)18(21)22/h8-9H,1-4,6-7H2,(H,16,20)
InChIKeySZWZSNMJWLQVKC-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.35
Rot. Bonds5

About 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide

2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide (PubChem CID 168523677) has the molecular formula C14H15N5O5 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide
PubChem CID168523677
Molecular FormulaC14H15N5O5
Molecular Weight333.30 g/mol
Exact Mass333.11
IUPAC Name2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O5/c15-5-4-14(20)16-10-8-12(17-6-2-1-3-7-17)13(19(23)24)9-11(10)18(21)22/h8-9H,1-4,6-7H2,(H,16,20)
InChIKeySZWZSNMJWLQVKC-UHFFFAOYSA-N
XLogP2.35
TPSA142.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,4-dinitro-5-piperidin-1-ylanilino)ethanol
CID 2842390
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
CID 168523631
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 50881707
N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)acetamide
CID 540733
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
2-cyano-N-(2,5-dichloro-4-nitrophenyl)acetamide
CID 168520132
2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
2-[4-(azepan-1-yl)-3-nitroanilino]ethene-1,1,2-tricarbonitrile
CID 168608546
1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
CID 168523564

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide (CID 168523677) is 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide is N#CCC(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide?
The InChIKey is SZWZSNMJWLQVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5/c15-5-4-14(20)16-10-8-12(17-6-2-1-3-7-17)13(19(23)24)9-11(10)18(21)22/h8-9H,1-4,6-7H2,(H,16,20).
What are the key properties of 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide?
2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide has a molecular weight of 333.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 168523677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).