N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C17H16ClN3O4S — CID 17224082

IUPACN-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16ClN3O4S/c18-13-4-3-12(21(24)25)10-14(13)19-16(22)11-5-7-20(8-6-11)17(23)15-2-1-9-26-15/h1-4,9-11H,5-8H2,(H,19,22)
InChIKeyLHWKELRJWOYVDX-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.80
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 17224082) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID17224082
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC NameN-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16ClN3O4S/c18-13-4-3-12(21(24)25)10-14(13)19-16(22)11-5-7-20(8-6-11)17(23)15-2-1-9-26-15/h1-4,9-11H,5-8H2,(H,19,22)
InChIKeyLHWKELRJWOYVDX-UHFFFAOYSA-N
XLogP3.80
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
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

N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224058
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39820921
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
CID 17223292
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27542012
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 126058566
N-(2-nitrophenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511092

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 17224082) is N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LHWKELRJWOYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-13-4-3-12(21(24)25)10-14(13)19-16(22)11-5-7-20(8-6-11)17(23)15-2-1-9-26-15/h1-4,9-11H,5-8H2,(H,19,22).
What are the key properties of N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17224082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).