N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide

C20H34F2N4O2 — CID 154670372

IUPACN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CN2CCC3(C2)CN(C(C)C)C3)CC1(F)F
InChIInChI=1S/C20H34F2N4O2/c1-14(2)18(28)23-16-5-7-25(13-20(16,21)22)17(27)9-24-8-6-19(10-24)11-26(12-19)15(3)4/h14-16H,5-13H2,1-4H3,(H,23,28)
InChIKeyDQBLITUVIHJETI-UHFFFAOYSA-N
MW400.51 g/mol
LogP1.41
Rot. Bonds5

About N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide

N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 154670372) has the molecular formula C20H34F2N4O2 and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID154670372
Molecular FormulaC20H34F2N4O2
Molecular Weight400.51 g/mol
Exact Mass400.26
IUPAC NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CN2CCC3(C2)CN(C(C)C)C3)CC1(F)F
InChIInChI=1S/C20H34F2N4O2/c1-14(2)18(28)23-16-5-7-25(13-20(16,21)22)17(27)9-24-8-6-19(10-24)11-26(12-19)15(3)4/h14-16H,5-13H2,1-4H3,(H,23,28)
InChIKeyDQBLITUVIHJETI-UHFFFAOYSA-N
XLogP1.41
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide (CID 154670372) is N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)CN2CCC3(C2)CN(C(C)C)C3)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is DQBLITUVIHJETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2N4O2/c1-14(2)18(28)23-16-5-7-25(13-20(16,21)22)17(27)9-24-8-6-19(10-24)11-26(12-19)15(3)4/h14-16H,5-13H2,1-4H3,(H,23,28).
What are the key properties of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 400.51 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154670372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).