3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

C21H25N3O3 — CID 110221527

IUPAC3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C(C1CC=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H25N3O3/c25-19(16-6-2-1-3-7-16)23-12-10-21(27,11-13-23)14-24-15-22-18-9-5-4-8-17(18)20(24)26/h1-2,4-5,8-9,15-16,27H,3,6-7,10-14H2
InChIKeyLXJRMQGILGSJSL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.11
Rot. Bonds3

About 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 110221527) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
PubChem CID110221527
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C(C1CC=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H25N3O3/c25-19(16-6-2-1-3-7-16)23-12-10-21(27,11-13-23)14-24-15-22-18-9-5-4-8-17(18)20(24)26/h1-2,4-5,8-9,15-16,27H,3,6-7,10-14H2
InChIKeyLXJRMQGILGSJSL-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911
N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
CID 46966128
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221520
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 150037575
2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
CID 46955302
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-7-methylquinazolin-4-one
CID 170125371
1-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-phenylurea
CID 121436042
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
1-(3-bromophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436433
N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 138512888

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (CID 110221527) is 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is O=C(C1CC=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is LXJRMQGILGSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19(16-6-2-1-3-7-16)23-12-10-21(27,11-13-23)14-24-15-22-18-9-5-4-8-17(18)20(24)26/h1-2,4-5,8-9,15-16,27H,3,6-7,10-14H2.
What are the key properties of 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 367.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 110221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).