4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide

C20H21FN4O4 — CID 32507530

IUPAC4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
SMILESCNc1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21FN4O4/c1-22-17-7-4-14(12-18(17)25(28)29)20(27)24-10-8-16(9-11-24)23-19(26)13-2-5-15(21)6-3-13/h2-7,12,16,22H,8-11H2,1H3,(H,23,26)
InChIKeyKFXDSSSEVCSBBD-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.81
Rot. Bonds5

About 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide

4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide (PubChem CID 32507530) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
PubChem CID32507530
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
SMILESCNc1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21FN4O4/c1-22-17-7-4-14(12-18(17)25(28)29)20(27)24-10-8-16(9-11-24)23-19(26)13-2-5-15(21)6-3-13/h2-7,12,16,22H,8-11H2,1H3,(H,23,26)
InChIKeyKFXDSSSEVCSBBD-UHFFFAOYSA-N
XLogP2.81
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
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

[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone
CID 62185375
N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
CID 34000828
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 119562505
(4-anilino-3-nitrophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562685
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
N-[1-[2-(dimethylamino)-5-nitrobenzoyl]piperidin-4-yl]-4-fluorobenzamide
CID 33010352
4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
[4-(4-fluoro-2-nitroanilino)piperidin-1-yl]-(furan-3-yl)methanone
CID 31660157
(4-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119374093

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide (CID 32507530) is 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide is CNc1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide?
The InChIKey is KFXDSSSEVCSBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-22-17-7-4-14(12-18(17)25(28)29)20(27)24-10-8-16(9-11-24)23-19(26)13-2-5-15(21)6-3-13/h2-7,12,16,22H,8-11H2,1H3,(H,23,26).
What are the key properties of 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide?
4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide has a molecular weight of 400.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 32507530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).