1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide

C15H18N4O2 — CID 21002803

IUPAC1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2ncnc(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C15H18N4O2/c1-21-11-2-3-13-12(8-11)15(18-9-17-13)19-6-4-10(5-7-19)14(16)20/h2-3,8-10H,4-7H2,1H3,(H2,16,20)
InChIKeyIMAFUNNQNDABPN-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.34
Rot. Bonds3

About 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide

1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide (PubChem CID 21002803) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
PubChem CID21002803
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2ncnc(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C15H18N4O2/c1-21-11-2-3-13-12(8-11)15(18-9-17-13)19-6-4-10(5-7-19)14(16)20/h2-3,8-10H,4-7H2,1H3,(H2,16,20)
InChIKeyIMAFUNNQNDABPN-UHFFFAOYSA-N
XLogP1.34
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide (CID 21002803) is 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide is COc1ccc2ncnc(N3CCC(C(N)=O)CC3)c2c1.
What is the InChIKey of 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide?
The InChIKey is IMAFUNNQNDABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-11-2-3-13-12(8-11)15(18-9-17-13)19-6-4-10(5-7-19)14(16)20/h2-3,8-10H,4-7H2,1H3,(H2,16,20).
What are the key properties of 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide?
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 21002803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).