3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one

C13H19N3O — CID 91210242

IUPAC3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one
SMILESO=C1N=C2CC=CCC2CN1C1CCNCC1
InChIInChI=1S/C13H19N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-2,10-11,14H,3-9H2
InChIKeyMLJCVBNSGZRVLK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.58
Rot. Bonds1

About 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one

3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one (PubChem CID 91210242) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one
PubChem CID91210242
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one
SMILESO=C1N=C2CC=CCC2CN1C1CCNCC1
InChIInChI=1S/C13H19N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-2,10-11,14H,3-9H2
InChIKeyMLJCVBNSGZRVLK-UHFFFAOYSA-N
XLogP1.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

11-Aza-7-azoniatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one
CID 20581474
1-(3-Methylpiperidin-4-yl)benzimidazol-1-ium-2-one
CID 53708306
4,4a,7,8-tetrahydro-3H-quinazolin-2-one
CID 90824925
Molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one
CID 144787514
1-(Cyclohex-3-en-1-ylmethyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60591681
1-(Cyclohex-3-en-1-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
CID 60593347
4-(Cyclohex-3-en-1-ylmethylamino)piperidine-1-carboxamide
CID 61950931
4-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202826
4-(3-Methyl-piperidin-1-yl)-4a,8a-dihydro-1h-quinazolin-2-one
CID 110277640
3-Piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one
CID 144787515

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one?
The IUPAC name of 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one (CID 91210242) is 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one is O=C1N=C2CC=CCC2CN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one?
The InChIKey is MLJCVBNSGZRVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-2,10-11,14H,3-9H2.
What are the key properties of 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one?
3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4,4a,5,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 91210242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).