(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone

C23H32N4O2 — CID 42213168

IUPAC(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone
SMILESCc1nc(N2CCC(C(=O)N3CCC(O)CC3)CC2)nc2ccc(C(C)C)cc12
InChIInChI=1S/C23H32N4O2/c1-15(2)18-4-5-21-20(14-18)16(3)24-23(25-21)27-10-6-17(7-11-27)22(29)26-12-8-19(28)9-13-26/h4-5,14-15,17,19,28H,6-13H2,1-3H3
InChIKeyLMKRRVNPBHJWQP-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.26
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone

(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone (PubChem CID 42213168) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone
PubChem CID42213168
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone
SMILESCc1nc(N2CCC(C(=O)N3CCC(O)CC3)CC2)nc2ccc(C(C)C)cc12
InChIInChI=1S/C23H32N4O2/c1-15(2)18-4-5-21-20(14-18)16(3)24-23(25-21)27-10-6-17(7-11-27)22(29)26-12-8-19(28)9-13-26/h4-5,14-15,17,19,28H,6-13H2,1-3H3
InChIKeyLMKRRVNPBHJWQP-UHFFFAOYSA-N
XLogP3.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 26358210
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 134014788
[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 42458221
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42272816
methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
CID 118755153
cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone
CID 7335362
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone (CID 42213168) is (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone is Cc1nc(N2CCC(C(=O)N3CCC(O)CC3)CC2)nc2ccc(C(C)C)cc12.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone?
The InChIKey is LMKRRVNPBHJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-15(2)18-4-5-21-20(14-18)16(3)24-23(25-21)27-10-6-17(7-11-27)22(29)26-12-8-19(28)9-13-26/h4-5,14-15,17,19,28H,6-13H2,1-3H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone has a molecular weight of 396.54 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 42213168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).