[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

C15H24N2O2 — CID 70748471

IUPAC[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)c(C)n1C
InChIInChI=1S/C15H24N2O2/c1-10-9-17(7-6-15(10,4)19)14(18)13-8-11(2)16(5)12(13)3/h8,10,19H,6-7,9H2,1-5H3/t10-,15+/m1/s1
InChIKeyLFNFJZLIPMOGJF-BMIGLBTASA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds1

About [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone (PubChem CID 70748471) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
PubChem CID70748471
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)c(C)n1C
InChIInChI=1S/C15H24N2O2/c1-10-9-17(7-6-15(10,4)19)14(18)13-8-11(2)16(5)12(13)3/h8,10,19H,6-7,9H2,1-5H3/t10-,15+/m1/s1
InChIKeyLFNFJZLIPMOGJF-BMIGLBTASA-N
XLogP1.87
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-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

(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
(4-methylpiperazin-4-ium-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 9183186
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
cyclopropyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806546
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
CID 78086744
cyclohexyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807056
[(3aR,7S,7aS)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 157016122
[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 70771171
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 70765107
(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815315

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
The IUPAC name of [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone (CID 70748471) is [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
The canonical SMILES for [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)c(C)n1C.
What is the InChIKey of [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
The InChIKey is LFNFJZLIPMOGJF-BMIGLBTASA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-9-17(7-6-15(10,4)19)14(18)13-8-11(2)16(5)12(13)3/h8,10,19H,6-7,9H2,1-5H3/t10-,15+/m1/s1.
What are the key properties of [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 70748471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).