N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide

C22H24F3N3O2 — CID 91903624

IUPACN-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
SMILESO=C(Cc1cccc(F)c1)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C22H24F3N3O2/c23-17-3-1-2-16(12-17)13-21(29)26-9-6-15-7-10-28(11-8-15)22(30)27-20-14-18(24)4-5-19(20)25/h1-5,12,14-15H,6-11,13H2,(H,26,29)(H,27,30)
InChIKeySQLSDWMPJBFMOJ-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.10
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide

N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide (PubChem CID 91903624) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
PubChem CID91903624
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
SMILESO=C(Cc1cccc(F)c1)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C22H24F3N3O2/c23-17-3-1-2-16(12-17)13-21(29)26-9-6-15-7-10-28(11-8-15)22(30)27-20-14-18(24)4-5-19(20)25/h1-5,12,14-15H,6-11,13H2,(H,26,29)(H,27,30)
InChIKeySQLSDWMPJBFMOJ-UHFFFAOYSA-N
XLogP4.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-(azepane-1-carbonyl)-N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 86875056
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide (CID 91903624) is N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide is O=C(Cc1cccc(F)c1)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
The InChIKey is SQLSDWMPJBFMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-17-3-1-2-16(12-17)13-21(29)26-9-6-15-7-10-28(11-8-15)22(30)27-20-14-18(24)4-5-19(20)25/h1-5,12,14-15H,6-11,13H2,(H,26,29)(H,27,30).
What are the key properties of N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).