N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

C17H16ClN3O5 — CID 134048458

IUPACN-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H16ClN3O5/c18-14-2-1-13(9-15(14)21(24)25)19-16(22)11-3-6-20(7-4-11)17(23)12-5-8-26-10-12/h1-2,5,8-11H,3-4,6-7H2,(H,19,22)
InChIKeyNLKGQPCBIUXATB-UHFFFAOYSA-N
MW377.78 g/mol
LogP3.33
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 134048458) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID134048458
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC NameN-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H16ClN3O5/c18-14-2-1-13(9-15(14)21(24)25)19-16(22)11-3-6-20(7-4-11)17(23)12-5-8-26-10-12/h1-2,5,8-11H,3-4,6-7H2,(H,19,22)
InChIKeyNLKGQPCBIUXATB-UHFFFAOYSA-N
XLogP3.33
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.33
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

1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224058
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
CID 86872747
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138
N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35557106
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 134048458) is N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is NLKGQPCBIUXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c18-14-2-1-13(9-15(14)21(24)25)19-16(22)11-3-6-20(7-4-11)17(23)12-5-8-26-10-12/h1-2,5,8-11H,3-4,6-7H2,(H,19,22).
What are the key properties of N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 134048458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).