[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone

C24H34N4O4S — CID 26279760

IUPAC[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone
SMILESCOCC[C@@H]1CCCCN1C(=O)C1CCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1
InChIInChI=1S/C24H34N4O4S/c1-17-21-8-7-20(33(3,30)31)16-22(21)26-24(25-17)27-13-9-18(10-14-27)23(29)28-12-5-4-6-19(28)11-15-32-2/h7-8,16,18-19H,4-6,9-15H2,1-3H3/t19-/m0/s1
InChIKeyIKTZWESVUAZSEE-IBGZPJMESA-N
MW474.63 g/mol
LogP2.98
Rot. Bonds6

About [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone

[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone (PubChem CID 26279760) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone
PubChem CID26279760
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone
SMILESCOCC[C@@H]1CCCCN1C(=O)C1CCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1
InChIInChI=1S/C24H34N4O4S/c1-17-21-8-7-20(33(3,30)31)16-22(21)26-24(25-17)27-13-9-18(10-14-27)23(29)28-12-5-4-6-19(28)11-15-32-2/h7-8,16,18-19H,4-6,9-15H2,1-3H3/t19-/m0/s1
InChIKeyIKTZWESVUAZSEE-IBGZPJMESA-N
XLogP2.98
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 42458221
methyl 1-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-yl]piperidine-4-carboxylate
CID 45199669
N-butyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42452627
N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45179400
N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 118754402
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 42322211
N-[(5-fluoro-2-methylphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42169453
N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45170878
N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42438176
(3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-propylpiperidine-3-carboxamide
CID 42211653
2-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-methyl-7-methylsulfonylquinazoline
CID 56720986

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone (CID 26279760) is [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone is COCC[C@@H]1CCCCN1C(=O)C1CCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1.
What is the InChIKey of [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone?
The InChIKey is IKTZWESVUAZSEE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-17-21-8-7-20(33(3,30)31)16-22(21)26-24(25-17)27-13-9-18(10-14-27)23(29)28-12-5-4-6-19(28)11-15-32-2/h7-8,16,18-19H,4-6,9-15H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone?
[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone has a molecular weight of 474.63 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 26279760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).