N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide

C24H30FN3O3 — CID 91903542

IUPACN-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCC(=O)NCCC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C24H30FN3O3/c1-31-22-8-5-18(6-9-22)7-10-23(29)26-14-11-19-12-15-28(16-13-19)24(30)27-21-4-2-3-20(25)17-21/h2-6,8-9,17,19H,7,10-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyZUQMKBNJESWCJK-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.22
Rot. Bonds8

About N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide

N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide (PubChem CID 91903542) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
PubChem CID91903542
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCC(=O)NCCC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C24H30FN3O3/c1-31-22-8-5-18(6-9-22)7-10-23(29)26-14-11-19-12-15-28(16-13-19)24(30)27-21-4-2-3-20(25)17-21/h2-6,8-9,17,19H,7,10-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyZUQMKBNJESWCJK-UHFFFAOYSA-N
XLogP4.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide (CID 91903542) is N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide is COc1ccc(CCC(=O)NCCC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is ZUQMKBNJESWCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-31-22-8-5-18(6-9-22)7-10-23(29)26-14-11-19-12-15-28(16-13-19)24(30)27-21-4-2-3-20(25)17-21/h2-6,8-9,17,19H,7,10-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).