1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide

C15H18N4O2 — CID 135421165

IUPAC1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H18N4O2/c16-14(20)10-5-7-19(8-6-10)9-13-17-12-4-2-1-3-11(12)15(21)18-13/h1-4,10H,5-9H2,(H2,16,20)(H,17,18,21)
InChIKeyZKZIFAVTFJBJGS-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.62
Rot. Bonds3

About 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide

1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 135421165) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID135421165
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H18N4O2/c16-14(20)10-5-7-19(8-6-10)9-13-17-12-4-2-1-3-11(12)15(21)18-13/h1-4,10H,5-9H2,(H2,16,20)(H,17,18,21)
InChIKeyZKZIFAVTFJBJGS-UHFFFAOYSA-N
XLogP0.62
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide (CID 135421165) is 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZKZIFAVTFJBJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-14(20)10-5-7-19(8-6-10)9-13-17-12-4-2-1-3-11(12)15(21)18-13/h1-4,10H,5-9H2,(H2,16,20)(H,17,18,21).
What are the key properties of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide?
1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 135421165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).