N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide

C20H34F2N4O3 — CID 155183377

IUPACN-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)CC2CC(NC(=O)C(C)C)C(F)(F)CN2)CC1
InChIInChI=1S/C20H34F2N4O3/c1-12(2)18(28)25-17-10-16(23-11-20(17,21)22)9-13(3)19(29)24-15-5-7-26(8-6-15)14(4)27/h12-13,15-17,23H,5-11H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyZUZZSGWKRCGPKR-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.28
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide

N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide (PubChem CID 155183377) has the molecular formula C20H34F2N4O3 and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide
PubChem CID155183377
Molecular FormulaC20H34F2N4O3
Molecular Weight416.51 g/mol
Exact Mass416.26
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)CC2CC(NC(=O)C(C)C)C(F)(F)CN2)CC1
InChIInChI=1S/C20H34F2N4O3/c1-12(2)18(28)25-17-10-16(23-11-20(17,21)22)9-13(3)19(29)24-15-5-7-26(8-6-15)14(4)27/h12-13,15-17,23H,5-11H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyZUZZSGWKRCGPKR-UHFFFAOYSA-N
XLogP1.28
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61214062
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CID 23402928
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
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CID 47308595
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
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2-methyl-N-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 63715305
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CID 61178983

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide (CID 155183377) is N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide is CC(=O)N1CCC(NC(=O)C(C)CC2CC(NC(=O)C(C)C)C(F)(F)CN2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide?
The InChIKey is ZUZZSGWKRCGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2N4O3/c1-12(2)18(28)25-17-10-16(23-11-20(17,21)22)9-13(3)19(29)24-15-5-7-26(8-6-15)14(4)27/h12-13,15-17,23H,5-11H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide?
N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide has a molecular weight of 416.51 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-[5,5-difluoro-4-(2-methylpropanoylamino)piperidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 155183377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).