(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone

C21H25N3O2 — CID 96572285

IUPAC(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCC([C@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19(12-15-4-2-1-3-5-15)16-8-10-24(11-9-16)21(26)18-13-22-20(23-14-18)17-6-7-17/h1-5,13-14,16-17,19,25H,6-12H2/t19-/m1/s1
InChIKeyBCBAHOYXBYHASR-LJQANCHMSA-N
MW351.45 g/mol
LogP2.81
Rot. Bonds5

About (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone (PubChem CID 96572285) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
PubChem CID96572285
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCC([C@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19(12-15-4-2-1-3-5-15)16-8-10-24(11-9-16)21(26)18-13-22-20(23-14-18)17-6-7-17/h1-5,13-14,16-17,19,25H,6-12H2/t19-/m1/s1
InChIKeyBCBAHOYXBYHASR-LJQANCHMSA-N
XLogP2.81
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-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

(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 96580621
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70767388
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 86285901
2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid
CID 167887560
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone (CID 96572285) is (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone is O=C(c1cnc(C2CC2)nc1)N1CCC([C@H](O)Cc2ccccc2)CC1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone?
The InChIKey is BCBAHOYXBYHASR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19(12-15-4-2-1-3-5-15)16-8-10-24(11-9-16)21(26)18-13-22-20(23-14-18)17-6-7-17/h1-5,13-14,16-17,19,25H,6-12H2/t19-/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 96572285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).