1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

C27H52N2O — CID 151336850

IUPAC1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILES[2H]C1CC(CCCCCCCCCCCC)C([2H])N1C1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C27H52N2O/c1-7-8-9-10-11-12-13-14-15-16-17-24-18-19-28(22-24)25-20-26(3,4)29(23(2)30)27(5,6)21-25/h24-25H,7-22H2,1-6H3/i19D,22D
InChIKeyOJPROWLBWIZGHD-IKQLPDBLSA-N
MW422.74 g/mol
LogP7.19
Rot. Bonds12

About 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (PubChem CID 151336850) has the molecular formula C27H52N2O and a molecular weight of 422.74 g/mol. Its IUPAC name is 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
PubChem CID151336850
Molecular FormulaC27H52N2O
Molecular Weight422.74 g/mol
Exact Mass422.42
IUPAC Name1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILES[2H]C1CC(CCCCCCCCCCCC)C([2H])N1C1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C27H52N2O/c1-7-8-9-10-11-12-13-14-15-16-17-24-18-19-28(22-24)25-20-26(3,4)29(23(2)30)27(5,6)21-25/h24-25H,7-22H2,1-6H3/i19D,22D
InChIKeyOJPROWLBWIZGHD-IKQLPDBLSA-N
XLogP7.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
CID 11459117
CID 11459117
3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-4-dodecylpyrrolidine-2,5-dione
CID 175053421
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
heptylcyclohexane;propan-2-one
CID 143570854
1-[12-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]pyrrolidine-2,5-dione
CID 69414398
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
CID 154520692
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (CID 151336850) is 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is [2H]C1CC(CCCCCCCCCCCC)C([2H])N1C1CC(C)(C)N(C(C)=O)C(C)(C)C1.
What is the InChIKey of 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The InChIKey is OJPROWLBWIZGHD-IKQLPDBLSA-N. The full InChI is InChI=1S/C27H52N2O/c1-7-8-9-10-11-12-13-14-15-16-17-24-18-19-28(22-24)25-20-26(3,4)29(23(2)30)27(5,6)21-25/h24-25H,7-22H2,1-6H3/i19D,22D.
What are the key properties of 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone has a molecular weight of 422.74 g/mol, XLogP of 7.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dideuterio-3-dodecylpyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 151336850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).