1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide

C20H28N4O2 — CID 45165686

IUPAC1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2c(C)nc(N3CCCC(C(=O)NC(C)(C)CO)C3)nc2c1
InChIInChI=1S/C20H28N4O2/c1-13-7-8-16-14(2)21-19(22-17(16)10-13)24-9-5-6-15(11-24)18(26)23-20(3,4)12-25/h7-8,10,15,25H,5-6,9,11-12H2,1-4H3,(H,23,26)
InChIKeyMGICECMQQLRAGF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.35
Rot. Bonds4

About 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide

1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 45165686) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
PubChem CID45165686
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2c(C)nc(N3CCCC(C(=O)NC(C)(C)CO)C3)nc2c1
InChIInChI=1S/C20H28N4O2/c1-13-7-8-16-14(2)21-19(22-17(16)10-13)24-9-5-6-15(11-24)18(26)23-20(3,4)12-25/h7-8,10,15,25H,5-6,9,11-12H2,1-4H3,(H,23,26)
InChIKeyMGICECMQQLRAGF-UHFFFAOYSA-N
XLogP2.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide (CID 45165686) is 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide is Cc1ccc2c(C)nc(N3CCCC(C(=O)NC(C)(C)CO)C3)nc2c1.
What is the InChIKey of 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is MGICECMQQLRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-7-8-16-14(2)21-19(22-17(16)10-13)24-9-5-6-15(11-24)18(26)23-20(3,4)12-25/h7-8,10,15,25H,5-6,9,11-12H2,1-4H3,(H,23,26).
What are the key properties of 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide?
1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethylquinazolin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45165686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).