2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide

C16H26F2N2O2 — CID 166261421

IUPAC2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide
SMILESO=C(C[C@@H]1CCC[C@H](C2CC2)O1)NCC1CCNCC1(F)F
InChIInChI=1S/C16H26F2N2O2/c17-16(18)10-19-7-6-12(16)9-20-15(21)8-13-2-1-3-14(22-13)11-4-5-11/h11-14,19H,1-10H2,(H,20,21)/t12?,13-,14+/m0/s1
InChIKeyLWDSTJDVIDDOKB-KFTPUPIBSA-N
MW316.39 g/mol
LogP2.09
Rot. Bonds5

About 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide

2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide (PubChem CID 166261421) has the molecular formula C16H26F2N2O2 and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide
PubChem CID166261421
Molecular FormulaC16H26F2N2O2
Molecular Weight316.39 g/mol
Exact Mass316.20
IUPAC Name2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide
SMILESO=C(C[C@@H]1CCC[C@H](C2CC2)O1)NCC1CCNCC1(F)F
InChIInChI=1S/C16H26F2N2O2/c17-16(18)10-19-7-6-12(16)9-20-15(21)8-13-2-1-3-14(22-13)11-4-5-11/h11-14,19H,1-10H2,(H,20,21)/t12?,13-,14+/m0/s1
InChIKeyLWDSTJDVIDDOKB-KFTPUPIBSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide (CID 166261421) is 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide is O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NCC1CCNCC1(F)F.
What is the InChIKey of 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide?
The InChIKey is LWDSTJDVIDDOKB-KFTPUPIBSA-N. The full InChI is InChI=1S/C16H26F2N2O2/c17-16(18)10-19-7-6-12(16)9-20-15(21)8-13-2-1-3-14(22-13)11-4-5-11/h11-14,19H,1-10H2,(H,20,21)/t12?,13-,14+/m0/s1.
What are the key properties of 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide?
2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-6-cyclopropyloxan-2-yl]-N-[(3,3-difluoropiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 166261421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).