N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide

C17H18N4O4S — CID 47067553

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C17H18N4O4S/c1-11-10-26-17(18-11)19-15(22)12-6-8-20(9-7-12)16(23)13-4-2-3-5-14(13)21(24)25/h2-5,10,12H,6-9H2,1H3,(H,18,19,22)
InChIKeyFZMAFBUKJXPLPC-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.85
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 47067553) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID47067553
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C17H18N4O4S/c1-11-10-26-17(18-11)19-15(22)12-6-8-20(9-7-12)16(23)13-4-2-3-5-14(13)21(24)25/h2-5,10,12H,6-9H2,1H3,(H,18,19,22)
InChIKeyFZMAFBUKJXPLPC-UHFFFAOYSA-N
XLogP2.85
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244
1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55857531
1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952035
1-(1,3-diphenylpyrazole-4-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950995
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
1-(2,4-diphenyl-1,3-thiazole-5-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951643
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951627
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide (CID 47067553) is N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is FZMAFBUKJXPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11-10-26-17(18-11)19-15(22)12-6-8-20(9-7-12)16(23)13-4-2-3-5-14(13)21(24)25/h2-5,10,12H,6-9H2,1H3,(H,18,19,22).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 47067553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).