[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone

C26H33N5OS — CID 46362908

IUPAC[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCCc1cc2c(N3CCCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)ncnc2s1
InChIInChI=1S/C26H33N5OS/c1-4-21-15-22-24(27-17-28-25(22)33-21)31-9-5-6-20(16-31)26(32)30-12-10-29(11-13-30)23-8-7-18(2)14-19(23)3/h7-8,14-15,17,20H,4-6,9-13,16H2,1-3H3
InChIKeyKRLDUGMHRUYVMZ-UHFFFAOYSA-N
MW463.65 g/mol
LogP4.44
Rot. Bonds4

About [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 46362908) has the molecular formula C26H33N5OS and a molecular weight of 463.65 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID46362908
Molecular FormulaC26H33N5OS
Molecular Weight463.65 g/mol
Exact Mass463.24
IUPAC Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCCc1cc2c(N3CCCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)ncnc2s1
InChIInChI=1S/C26H33N5OS/c1-4-21-15-22-24(27-17-28-25(22)33-21)31-9-5-6-20(16-31)26(32)30-12-10-29(11-13-30)23-8-7-18(2)14-19(23)3/h7-8,14-15,17,20H,4-6,9-13,16H2,1-3H3
InChIKeyKRLDUGMHRUYVMZ-UHFFFAOYSA-N
XLogP4.44
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92877179
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 46362719
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone (CID 46362908) is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone is CCc1cc2c(N3CCCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)ncnc2s1.
What is the InChIKey of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is KRLDUGMHRUYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5OS/c1-4-21-15-22-24(27-17-28-25(22)33-21)31-9-5-6-20(16-31)26(32)30-12-10-29(11-13-30)23-8-7-18(2)14-19(23)3/h7-8,14-15,17,20H,4-6,9-13,16H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone?
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 463.65 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 46362908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).