N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C24H30FN3O3 — CID 55842591

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)cc1
InChIInChI=1S/C24H30FN3O3/c1-17(23(29)27-20-7-9-21(31-2)10-8-20)28-15-12-19(13-16-28)24(30)26-14-11-18-5-3-4-6-22(18)25/h3-10,17,19H,11-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyKSWHISQIABYBHJ-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.23
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 55842591) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID55842591
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)cc1
InChIInChI=1S/C24H30FN3O3/c1-17(23(29)27-20-7-9-21(31-2)10-8-20)28-15-12-19(13-16-28)24(30)26-14-11-18-5-3-4-6-22(18)25/h3-10,17,19H,11-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyKSWHISQIABYBHJ-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738817
1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
CID 51112690
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[(4-fluorophenyl)methyl]-1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55839313
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444408
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 55842591) is N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is KSWHISQIABYBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-17(23(29)27-20-7-9-21(31-2)10-8-20)28-15-12-19(13-16-28)24(30)26-14-11-18-5-3-4-6-22(18)25/h3-10,17,19H,11-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55842591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).