3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one

C24H29N3O2 — CID 122420674

IUPAC3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCC(Cc1ccccc1)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C24H29N3O2/c1-19(15-20-7-3-2-4-8-20)16-26-13-11-24(29,12-14-26)17-27-18-25-22-10-6-5-9-21(22)23(27)28/h2-10,18-19,29H,11-17H2,1H3
InChIKeyMKYMIXNNSLXSEN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.10
Rot. Bonds6

About 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one

3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 122420674) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID122420674
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCC(Cc1ccccc1)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C24H29N3O2/c1-19(15-20-7-3-2-4-8-20)16-26-13-11-24(29,12-14-26)17-27-18-25-22-10-6-5-9-21(22)23(27)28/h2-10,18-19,29H,11-17H2,1H3
InChIKeyMKYMIXNNSLXSEN-UHFFFAOYSA-N
XLogP3.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
CID 46955302
2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92582048
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221520
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-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 92594591
4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol
CID 110223962
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 138512888
3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221527
3-[[4-hydroxy-1-(2-phenylpropyl)piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46955002
4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 138513046

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 122420674) is 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one is CC(Cc1ccccc1)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is MKYMIXNNSLXSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19(15-20-7-3-2-4-8-20)16-26-13-11-24(29,12-14-26)17-27-18-25-22-10-6-5-9-21(22)23(27)28/h2-10,18-19,29H,11-17H2,1H3.
What are the key properties of 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one?
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 122420674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).