1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

C21H27N3O2 — CID 135119885

IUPAC1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(C(O)CCc3ccccc3)CC2)nc1C
InChIInChI=1S/C21H27N3O2/c1-15-19(16(2)25)14-22-21(23-15)24-12-10-18(11-13-24)20(26)9-8-17-6-4-3-5-7-17/h3-7,14,18,20,26H,8-13H2,1-2H3
InChIKeyWJUSJUGQMDGPQI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.20
Rot. Bonds6

About 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 135119885) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
PubChem CID135119885
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(C(O)CCc3ccccc3)CC2)nc1C
InChIInChI=1S/C21H27N3O2/c1-15-19(16(2)25)14-22-21(23-15)24-12-10-18(11-13-24)20(26)9-8-17-6-4-3-5-7-17/h3-7,14,18,20,26H,8-13H2,1-2H3
InChIKeyWJUSJUGQMDGPQI-UHFFFAOYSA-N
XLogP3.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-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

5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 137335528
2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 135101846
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 131897606
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135104601
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83178302
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97203919
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
CID 137337439
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (CID 135119885) is 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(N2CCC(C(O)CCc3ccccc3)CC2)nc1C.
What is the InChIKey of 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is WJUSJUGQMDGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-19(16(2)25)14-22-21(23-15)24-12-10-18(11-13-24)20(26)9-8-17-6-4-3-5-7-17/h3-7,14,18,20,26H,8-13H2,1-2H3.
What are the key properties of 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 135119885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).