[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone

C27H32N4O2 — CID 51901047

About [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone

[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone (PubChem CID 51901047) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
• PubChem CID: 51901047
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
• SMILES: Cc1nc(N2CCC[C@@H]2C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)nc2ccccc12
• InChI: InChI=1S/C27H32N4O2/c1-19-22-10-5-6-11-23(22)29-27(28-19)31-15-7-12-24(31)26(33)30-16-13-21(14-17-30)25(32)18-20-8-3-2-4-9-20/h2-6,8-11,21,24-25,32H,7,12-18H2,1H3/t24-,25-/m1/s1
• InChIKey: CJIDCAXVMAMRCN-JWQCQUIFSA-N
• XLogP: 3.75
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone?

The IUPAC name of [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone (CID 51901047) is [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone.

What is the SMILES notation for [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone?

The canonical SMILES for [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone is Cc1nc(N2CCC[C@@H]2C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)nc2ccccc12.

What is the InChIKey of [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone?

The InChIKey is CJIDCAXVMAMRCN-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-22-10-5-6-11-23(22)29-27(28-19)31-15-7-12-24(31)26(33)30-16-13-21(14-17-30)25(32)18-20-8-3-2-4-9-20/h2-6,8-11,21,24-25,32H,7,12-18H2,1H3/t24-,25-/m1/s1.

What are the key properties of [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone?

[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone has a molecular weight of 444.58 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 51901047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).