4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide

C20H25F2N3O2 — CID 164632765

IUPAC4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cnc([C@H](C)NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)o1
InChIInChI=1S/C20H25F2N3O2/c1-13-12-23-19(27-13)14(2)24-20(26)25-9-7-15(8-10-25)3-4-16-5-6-17(21)11-18(16)22/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyVLVOHSVTOMRLCN-AWEZNQCLSA-N
MW377.44 g/mol
LogP4.38
Rot. Bonds5

About 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide

4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 164632765) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID164632765
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cnc([C@H](C)NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)o1
InChIInChI=1S/C20H25F2N3O2/c1-13-12-23-19(27-13)14(2)24-20(26)25-9-7-15(8-10-25)3-4-16-5-6-17(21)11-18(16)22/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyVLVOHSVTOMRLCN-AWEZNQCLSA-N
XLogP4.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide (CID 164632765) is 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide is Cc1cnc([C@H](C)NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)o1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is VLVOHSVTOMRLCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-13-12-23-19(27-13)14(2)24-20(26)25-9-7-15(8-10-25)3-4-16-5-6-17(21)11-18(16)22/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3,(H,24,26)/t14-/m0/s1.
What are the key properties of 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide?
4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)ethyl]-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 164632765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).