N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide

C16H17N3O4 — CID 2965953

IUPACN-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1
InChIInChI=1S/C16H17N3O4/c20-16(15-5-4-10-23-15)17-13-11-12(19(21)22)6-7-14(13)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,20)
InChIKeyIGKQVXLNXZLGMT-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.43
Rot. Bonds4

About N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide

N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 2965953) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID2965953
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1
InChIInChI=1S/C16H17N3O4/c20-16(15-5-4-10-23-15)17-13-11-12(19(21)22)6-7-14(13)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,20)
InChIKeyIGKQVXLNXZLGMT-UHFFFAOYSA-N
XLogP3.43
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 710698
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
N-(3-nitrophenyl)furan-2-carboxamide
CID 531897
N-(2-morpholinophenyl)-5-nitrofuran-2-carboxamide
CID 2996093
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075
(4-(3,5-Dinitrobenzoyl)piperazin-1-yl)(furan-2-yl)methanone
CID 1931247
N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
CID 774021
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 953649
N-(furan-2-ylmethyl)-2-nitro-5-(piperazin-1-yl)aniline
CID 2771419
1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)-
CID 3072508

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide (CID 2965953) is N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1.
What is the InChIKey of N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is IGKQVXLNXZLGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-16(15-5-4-10-23-15)17-13-11-12(19(21)22)6-7-14(13)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,20).
What are the key properties of N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 2965953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).