(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone

C22H27N3O2 — CID 70736964

IUPAC(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-15-19(14-23-21(24-15)18-7-8-18)22(27)25-11-9-17(10-12-25)20(26)13-16-5-3-2-4-6-16/h2-6,14,17-18,20,26H,7-13H2,1H3
InChIKeySSHFGDBTIWMTMR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.12
Rot. Bonds5

About (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone

(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 70736964) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
PubChem CID70736964
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-15-19(14-23-21(24-15)18-7-8-18)22(27)25-11-9-17(10-12-25)20(26)13-16-5-3-2-4-6-16/h2-6,14,17-18,20,26H,7-13H2,1H3
InChIKeySSHFGDBTIWMTMR-UHFFFAOYSA-N
XLogP3.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone (CID 70736964) is (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone is Cc1nc(C2CC2)ncc1C(=O)N1CCC(C(O)Cc2ccccc2)CC1.
What is the InChIKey of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is SSHFGDBTIWMTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-19(14-23-21(24-15)18-7-8-18)22(27)25-11-9-17(10-12-25)20(26)13-16-5-3-2-4-6-16/h2-6,14,17-18,20,26H,7-13H2,1H3.
What are the key properties of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone?
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70736964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).