(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone

C26H32N4OS — CID 126477024

IUPAC(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C26H32N4OS/c1-18-8-6-7-13-30(18)24-22-19(2)23(32-25(22)28-17-27-24)26(31)29-14-11-21(12-15-29)16-20-9-4-3-5-10-20/h3-5,9-10,17-18,21H,6-8,11-16H2,1-2H3
InChIKeyHYLZQJCNMFISHT-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.47
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone

(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 126477024) has the molecular formula C26H32N4OS and a molecular weight of 448.64 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
PubChem CID126477024
Molecular FormulaC26H32N4OS
Molecular Weight448.64 g/mol
Exact Mass448.23
IUPAC Name(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C26H32N4OS/c1-18-8-6-7-13-30(18)24-22-19(2)23(32-25(22)28-17-27-24)26(31)29-14-11-21(12-15-29)16-20-9-4-3-5-10-20/h3-5,9-10,17-18,21H,6-8,11-16H2,1-2H3
InChIKeyHYLZQJCNMFISHT-UHFFFAOYSA-N
XLogP5.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 92848582
6-(4-benzylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 23825059
N-cyclohexyl-N,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4120035
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4247281
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone
CID 4284174
N-(5-chloro-2-methoxyphenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4116245
ethyl 1-[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate
CID 5144922
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone (CID 126477024) is (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone is Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2ncnc(N3CCCCC3C)c12.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is HYLZQJCNMFISHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4OS/c1-18-8-6-7-13-30(18)24-22-19(2)23(32-25(22)28-17-27-24)26(31)29-14-11-21(12-15-29)16-20-9-4-3-5-10-20/h3-5,9-10,17-18,21H,6-8,11-16H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 448.64 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 126477024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).