3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

C23H32N4O3 — CID 110221520

IUPAC3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESCC1CCCC(C)N1C(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H32N4O3/c1-17-6-5-7-18(2)27(17)21(28)14-25-12-10-23(30,11-13-25)15-26-16-24-20-9-4-3-8-19(20)22(26)29/h3-4,8-9,16-18,30H,5-7,10-15H2,1-2H3
InChIKeyMZMKDGFJXZUEND-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.01
Rot. Bonds4

About 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 110221520) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
PubChem CID110221520
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESCC1CCCC(C)N1C(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H32N4O3/c1-17-6-5-7-18(2)27(17)21(28)14-25-12-10-23(30,11-13-25)15-26-16-24-20-9-4-3-8-19(20)22(26)29/h3-4,8-9,16-18,30H,5-7,10-15H2,1-2H3
InChIKeyMZMKDGFJXZUEND-UHFFFAOYSA-N
XLogP2.01
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
CID 46966128
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-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911
3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221527
3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 92594591
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (CID 110221520) is 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is CC1CCCC(C)N1C(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is MZMKDGFJXZUEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17-6-5-7-18(2)27(17)21(28)14-25-12-10-23(30,11-13-25)15-26-16-24-20-9-4-3-8-19(20)22(26)29/h3-4,8-9,16-18,30H,5-7,10-15H2,1-2H3.
What are the key properties of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 412.53 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 110221520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).