[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

C14H18F2N2O2 — CID 164637803

IUPAC[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2onc3c2CCCC3)CCC1(F)F
InChIInChI=1S/C14H18F2N2O2/c1-9-8-18(7-6-14(9,15)16)13(19)12-10-4-2-3-5-11(10)17-20-12/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyUCJIWSQVDIHQNR-VIFPVBQESA-N
MW284.31 g/mol
LogP2.67
Rot. Bonds1

About [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (PubChem CID 164637803) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
PubChem CID164637803
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2onc3c2CCCC3)CCC1(F)F
InChIInChI=1S/C14H18F2N2O2/c1-9-8-18(7-6-14(9,15)16)13(19)12-10-4-2-3-5-11(10)17-20-12/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyUCJIWSQVDIHQNR-VIFPVBQESA-N
XLogP2.67
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone 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 [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The IUPAC name of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (CID 164637803) is [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is C[C@H]1CN(C(=O)c2onc3c2CCCC3)CCC1(F)F.
What is the InChIKey of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The InChIKey is UCJIWSQVDIHQNR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9-8-18(7-6-14(9,15)16)13(19)12-10-4-2-3-5-11(10)17-20-12/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone has a molecular weight of 284.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is sourced from PubChem (CID 164637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).