N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide

C20H19N5O5 — CID 39389955

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H19N5O5/c26-19(14-1-2-17(18(11-14)25(28)29)24-9-6-21-13-24)22-16-3-7-23(8-4-16)20(27)15-5-10-30-12-15/h1-2,5-6,9-13,16H,3-4,7-8H2,(H,22,26)
InChIKeyPRVKTPATGXRTJM-UHFFFAOYSA-N
MW409.40 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide (PubChem CID 39389955) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide
PubChem CID39389955
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H19N5O5/c26-19(14-1-2-17(18(11-14)25(28)29)24-9-6-21-13-24)22-16-3-7-23(8-4-16)20(27)15-5-10-30-12-15/h1-2,5-6,9-13,16H,3-4,7-8H2,(H,22,26)
InChIKeyPRVKTPATGXRTJM-UHFFFAOYSA-N
XLogP2.41
TPSA123.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.41
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

N-(1,1-dioxothian-4-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 60512004
4-imidazol-1-yl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119453564
[4-(1-aminoethyl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 119520295
N-[2-(cycloheptylamino)ethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 119621087
N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
(3-aminopiperidin-1-yl)-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 119381080
4-imidazol-1-yl-3-nitro-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 124735430
[4-(4-imidazol-1-yl-3-nitrobenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39404754
N-(1-cyclopropylethyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 45352289
[3-(hydroxymethyl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 110878686
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
[4-(4-fluoro-2-nitroanilino)piperidin-1-yl]-(furan-3-yl)methanone
CID 31660157

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide (CID 39389955) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide?
The InChIKey is PRVKTPATGXRTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5/c26-19(14-1-2-17(18(11-14)25(28)29)24-9-6-21-13-24)22-16-3-7-23(8-4-16)20(27)15-5-10-30-12-15/h1-2,5-6,9-13,16H,3-4,7-8H2,(H,22,26).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide has a molecular weight of 409.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide is sourced from PubChem (CID 39389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).