[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

C18H25N5O2S — CID 120641230

IUPAC[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCN(c3ncnc4sccc34)CC2)CCNCC1
InChIInChI=1S/C18H25N5O2S/c1-25-12-18(3-5-19-6-4-18)17(24)23-9-7-22(8-10-23)15-14-2-11-26-16(14)21-13-20-15/h2,11,13,19H,3-10,12H2,1H3
InChIKeyINCRHSJZNWAKBV-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.36
Rot. Bonds4

About [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 120641230) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID120641230
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCN(c3ncnc4sccc34)CC2)CCNCC1
InChIInChI=1S/C18H25N5O2S/c1-25-12-18(3-5-19-6-4-18)17(24)23-9-7-22(8-10-23)15-14-2-11-26-16(14)21-13-20-15/h2,11,13,19H,3-10,12H2,1H3
InChIKeyINCRHSJZNWAKBV-UHFFFAOYSA-N
XLogP1.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120641229
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
(1-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842621
[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 120642696
2-methoxy-2-methyl-3-oxo-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanoic acid
CID 136552694
2-(2-methoxyethylamino)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119842629
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
2-cyclopropyl-2-methoxy-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 136538650
2-(4-methoxyphenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814543
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
2-(4-aminophenyl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119842582

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone (CID 120641230) is [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone is COCC1(C(=O)N2CCN(c3ncnc4sccc34)CC2)CCNCC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is INCRHSJZNWAKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-25-12-18(3-5-19-6-4-18)17(24)23-9-7-22(8-10-23)15-14-2-11-26-16(14)21-13-20-15/h2,11,13,19H,3-10,12H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
[4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 375.50 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120641230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).