N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide

C21H35F2N3O2 — CID 164844242

IUPACN-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CN2CCC3(CC(C(C)C)C3)C2)CC1(F)F
InChIInChI=1S/C21H35F2N3O2/c1-14(2)16-9-20(10-16)6-8-25(12-20)11-18(27)26-7-5-17(21(22,23)13-26)24-19(28)15(3)4/h14-17H,5-13H2,1-4H3,(H,24,28)
InChIKeyLPBCJLMIDHOWQP-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.75
Rot. Bonds5

About N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide

N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 164844242) has the molecular formula C21H35F2N3O2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID164844242
Molecular FormulaC21H35F2N3O2
Molecular Weight399.53 g/mol
Exact Mass399.27
IUPAC NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CN2CCC3(CC(C(C)C)C3)C2)CC1(F)F
InChIInChI=1S/C21H35F2N3O2/c1-14(2)16-9-20(10-16)6-8-25(12-20)11-18(27)26-7-5-17(21(22,23)13-26)24-19(28)15(3)4/h14-17H,5-13H2,1-4H3,(H,24,28)
InChIKeyLPBCJLMIDHOWQP-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]prop-2-enamide
CID 166466672
N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane
CID 166466689
2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid
CID 71244354
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313
2-(7-propan-2-yl-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 71244358
N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
CID 154671378
N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide
CID 155183377
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
CID 177010787
1-(2-propan-2-yl-6-azaspiro[3.5]nonan-6-yl)but-2-yn-1-one
CID 123693953
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide (CID 164844242) is N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)CN2CCC3(CC(C(C)C)C3)C2)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is LPBCJLMIDHOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F2N3O2/c1-14(2)16-9-20(10-16)6-8-25(12-20)11-18(27)26-7-5-17(21(22,23)13-26)24-19(28)15(3)4/h14-17H,5-13H2,1-4H3,(H,24,28).
What are the key properties of N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 399.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(2-propan-2-yl-6-azaspiro[3.4]octan-6-yl)acetyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 164844242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).