[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C19H28N2O2 — CID 133130629

IUPAC[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(N3CCCC3)cc2)CC[C@@]1(C)O
InChIInChI=1S/C19H28N2O2/c1-18(2)14-21(13-10-19(18,3)23)17(22)15-6-8-16(9-7-15)20-11-4-5-12-20/h6-9,23H,4-5,10-14H2,1-3H3/t19-/m1/s1
InChIKeyIZIYMGWBELOVNE-LJQANCHMSA-N
MW316.44 g/mol
LogP2.91
Rot. Bonds2

About [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 133130629) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID133130629
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(N3CCCC3)cc2)CC[C@@]1(C)O
InChIInChI=1S/C19H28N2O2/c1-18(2)14-21(13-10-19(18,3)23)17(22)15-6-8-16(9-7-15)20-11-4-5-12-20/h6-9,23H,4-5,10-14H2,1-3H3/t19-/m1/s1
InChIKeyIZIYMGWBELOVNE-LJQANCHMSA-N
XLogP2.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)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-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 132770902
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
(4aS,8aS)-1-methyl-7-(4-piperidin-1-ylbenzoyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135111629
[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 70773299
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 72861703
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133129645
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110159848
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
2-ethyl-1-[4-(4-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 110347131

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 133130629) is [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is CC1(C)CN(C(=O)c2ccc(N3CCCC3)cc2)CC[C@@]1(C)O.
What is the InChIKey of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is IZIYMGWBELOVNE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2)14-21(13-10-19(18,3)23)17(22)15-6-8-16(9-7-15)20-11-4-5-12-20/h6-9,23H,4-5,10-14H2,1-3H3/t19-/m1/s1.
What are the key properties of [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 316.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 133130629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).