1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

C22H29N3O2 — CID 135096170

IUPAC1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1
InChIInChI=1S/C22H29N3O2/c1-16-7-10-24(11-8-16)15-22(27)25-13-18(21(26)14-25)12-17-6-9-23-20-5-3-2-4-19(17)20/h2-6,9,16,18,21,26H,7-8,10-15H2,1H3/t18-,21+/m1/s1
InChIKeyRAPISRKHHTXHLW-NQIIRXRSSA-N
MW367.49 g/mol
LogP2.33
Rot. Bonds4

About 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 135096170) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID135096170
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1
InChIInChI=1S/C22H29N3O2/c1-16-7-10-24(11-8-16)15-22(27)25-13-18(21(26)14-25)12-17-6-9-23-20-5-3-2-4-19(17)20/h2-6,9,16,18,21,26H,7-8,10-15H2,1H3/t18-,21+/m1/s1
InChIKeyRAPISRKHHTXHLW-NQIIRXRSSA-N
XLogP2.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-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

1-hexyl-indolactam-V10
CID 24742033
1-[(3R,4R)-3-ethenyl-4-[(3R)-3-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
CID 11198542
1-[(3R,4R)-3-ethenyl-4-(3-quinolin-4-ylpropyl)piperidin-1-yl]ethanone
CID 11290233
N-methyl-2-oxo-2-[2-(2-phenylethyl)-4-morpholinyl]-N-(2-pyridinylmethyl)ethanamine
CID 45225298
2-(1H-indol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 49720234
1-[4-[[(2R,5S)-5-(quinolin-6-ylmethyl)oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 56899946
[(3R*,4R*)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72939379
(2S)-1-[2-[2-methoxyethyl(quinolin-4-ylmethyl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 90655545
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(5-quinolin-3-ylindol-1-yl)acetamide
CID 118708043
3-(1-Benzyl-4-hydroxy-piperidin-3-ylmethyl)-indole-1-carboxylic acid tert-butyl ester
CID 44366583
(4aR,7aS)-4-(2-methoxyethyl)-6-(quinolin-3-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775111
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(5-quinolinylmethyl)acetamide
CID 70728068

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (CID 135096170) is 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is RAPISRKHHTXHLW-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-7-10-24(11-8-16)15-22(27)25-13-18(21(26)14-25)12-17-6-9-23-20-5-3-2-4-19(17)20/h2-6,9,16,18,21,26H,7-8,10-15H2,1H3/t18-,21+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 367.49 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 135096170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).