(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone

C13H24N2O2 — CID 115276519

IUPAC(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(O)C(C)(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)9-15(7-5-11(13)16)12(17)10-4-6-14(3)8-10/h10-11,16H,4-9H2,1-3H3
InChIKeyIAFMACZQAINGSQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.56
Rot. Bonds1

About (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone

(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 115276519) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
PubChem CID115276519
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(O)C(C)(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)9-15(7-5-11(13)16)12(17)10-4-6-14(3)8-10/h10-11,16H,4-9H2,1-3H3
InChIKeyIAFMACZQAINGSQ-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone 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

1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one
CID 115276800
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
2,2-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)pyrrolidin-3-one
CID 115275141
2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
CID 102849661
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
CID 130949562
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 120820032

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone (CID 115276519) is (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone is CN1CCC(C(=O)N2CCC(O)C(C)(C)C2)C1.
What is the InChIKey of (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is IAFMACZQAINGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)9-15(7-5-11(13)16)12(17)10-4-6-14(3)8-10/h10-11,16H,4-9H2,1-3H3.
What are the key properties of (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 115276519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).