N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide

C21H36F2N4O2 — CID 154670202

IUPACN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CN2CCC3(CC2)CN(C(C)C)C3)CC1(F)F
InChIInChI=1S/C21H36F2N4O2/c1-15(2)19(29)24-17-5-8-26(14-21(17,22)23)18(28)11-25-9-6-20(7-10-25)12-27(13-20)16(3)4/h15-17H,5-14H2,1-4H3,(H,24,29)
InChIKeyGWCLYIGZXPUORO-UHFFFAOYSA-N
MW414.54 g/mol
LogP1.80
Rot. Bonds5

About N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide

N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 154670202) has the molecular formula C21H36F2N4O2 and a molecular weight of 414.54 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID154670202
Molecular FormulaC21H36F2N4O2
Molecular Weight414.54 g/mol
Exact Mass414.28
IUPAC NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CN2CCC3(CC2)CN(C(C)C)C3)CC1(F)F
InChIInChI=1S/C21H36F2N4O2/c1-15(2)19(29)24-17-5-8-26(14-21(17,22)23)18(28)11-25-9-6-20(7-10-25)12-27(13-20)16(3)4/h15-17H,5-14H2,1-4H3,(H,24,29)
InChIKeyGWCLYIGZXPUORO-UHFFFAOYSA-N
XLogP1.80
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-tert-butylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68177756
2-(4-ethylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68185906
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 118052221
(3S)-3-methyl-1-[3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperazin-2-one
CID 141427502
ethane;2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 144172712
2,2,2-trifluoro-N-[2-oxo-2-[4-(3,5,5-trimethyl-2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]acetamide
CID 145572696
(2R)-4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide
CID 146625857
N-[2-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide
CID 146625869
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide
CID 154669971
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide
CID 154670016
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide;ethane;molecular hydrogen
CID 154670201
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

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-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[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide (CID 154670202) is N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-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[3.5]nonan-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[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)CN2CCC3(CC2)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[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is GWCLYIGZXPUORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36F2N4O2/c1-15(2)19(29)24-17-5-8-26(14-21(17,22)23)18(28)11-25-9-6-20(7-10-25)12-27(13-20)16(3)4/h15-17H,5-14H2,1-4H3,(H,24,29).
What are the key properties of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide?
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 414.54 g/mol, XLogP of 1.80, 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[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154670202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).