1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide

C25H23N3O5 — CID 52637096

IUPAC1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1
InChIInChI=1S/C25H23N3O5/c29-24(26-19-7-3-1-4-8-19)18-13-15-27(16-14-18)25(30)22-17-20(28(31)32)11-12-23(22)33-21-9-5-2-6-10-21/h1-12,17-18H,13-16H2,(H,26,29)
InChIKeyHPHZIEGCDJGEJD-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.88
Rot. Bonds6

About 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide

1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 52637096) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide
PubChem CID52637096
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1
InChIInChI=1S/C25H23N3O5/c29-24(26-19-7-3-1-4-8-19)18-13-15-27(16-14-18)25(30)22-17-20(28(31)32)11-12-23(22)33-21-9-5-2-6-10-21/h1-12,17-18H,13-16H2,(H,26,29)
InChIKeyHPHZIEGCDJGEJD-UHFFFAOYSA-N
XLogP4.88
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.88
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

(5-nitro-2-phenoxyphenyl)-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]methanone
CID 97016309
[3-(aminomethyl)pyrrolidin-1-yl]-(5-nitro-2-phenoxyphenyl)methanone;hydrochloride
CID 119484241
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(5-nitro-2-phenoxyphenyl)methanone
CID 55755521
1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
CID 17223292
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyphenoxy)-5-nitrophenyl]methanone
CID 119520828
2-[4-(5-nitro-2-phenoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55759471
(5-nitro-2-phenoxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99804472
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide (CID 52637096) is 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1.
What is the InChIKey of 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is HPHZIEGCDJGEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c29-24(26-19-7-3-1-4-8-19)18-13-15-27(16-14-18)25(30)22-17-20(28(31)32)11-12-23(22)33-21-9-5-2-6-10-21/h1-12,17-18H,13-16H2,(H,26,29).
What are the key properties of 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide?
1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 52637096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).