3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

C22H25F2N3O2 — CID 46334232

IUPAC3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)C1
InChIInChI=1S/C22H25F2N3O2/c1-2-25-22(29)27-8-4-7-18(14-27)16-5-3-6-17(11-16)21(28)26-13-15-9-19(23)12-20(24)10-15/h3,5-6,9-12,18H,2,4,7-8,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyVDZLKIQTRIUKRB-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.80
Rot. Bonds5

About 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 46334232) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
PubChem CID46334232
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)C1
InChIInChI=1S/C22H25F2N3O2/c1-2-25-22(29)27-8-4-7-18(14-27)16-5-3-6-17(11-16)21(28)26-13-15-9-19(23)12-20(24)10-15/h3,5-6,9-12,18H,2,4,7-8,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyVDZLKIQTRIUKRB-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (CID 46334232) is 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)C1.
What is the InChIKey of 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is VDZLKIQTRIUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-2-25-22(29)27-8-4-7-18(14-27)16-5-3-6-17(11-16)21(28)26-13-15-9-19(23)12-20(24)10-15/h3,5-6,9-12,18H,2,4,7-8,13-14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 46334232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).