4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C21H23F2N3O2 — CID 91903544

IUPAC4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H23F2N3O2/c22-17-4-1-3-16(13-17)20(27)24-10-7-15-8-11-26(12-9-15)21(28)25-19-6-2-5-18(23)14-19/h1-6,13-15H,7-12H2,(H,24,27)(H,25,28)
InChIKeyYQPDMAPRRYMGRU-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.03
Rot. Bonds5

About 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 91903544) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID91903544
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H23F2N3O2/c22-17-4-1-3-16(13-17)20(27)24-10-7-15-8-11-26(12-9-15)21(28)25-19-6-2-5-18(23)14-19/h1-6,13-15H,7-12H2,(H,24,27)(H,25,28)
InChIKeyYQPDMAPRRYMGRU-UHFFFAOYSA-N
XLogP4.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 91903691
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-phenyl-4-[2-(thiophene-3-carbonylamino)ethyl]piperidine-1-carboxamide
CID 91903510
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-[2-hydroxyethyl(methyl)amino]piperidine-1-carboxamide
CID 75449902
2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913328
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 91903544) is 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(NCCC1CCN(C(=O)Nc2cccc(F)c2)CC1)c1cccc(F)c1.
What is the InChIKey of 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is YQPDMAPRRYMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c22-17-4-1-3-16(13-17)20(27)24-10-7-15-8-11-26(12-9-15)21(28)25-19-6-2-5-18(23)14-19/h1-6,13-15H,7-12H2,(H,24,27)(H,25,28).
What are the key properties of 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91903544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).