N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C26H34N4O3S — CID 40898290

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1OCC
InChIInChI=1S/C26H34N4O3S/c1-6-32-21-9-8-20(14-22(21)33-7-2)17(4)29-25(31)19-10-12-30(13-11-19)24-23-16(3)18(5)34-26(23)28-15-27-24/h8-9,14-15,17,19H,6-7,10-13H2,1-5H3,(H,29,31)/t17-/m0/s1
InChIKeyFOZQPUJSFRYBEF-KRWDZBQOSA-N
MW482.65 g/mol
LogP5.20
Rot. Bonds8

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 40898290) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID40898290
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1OCC
InChIInChI=1S/C26H34N4O3S/c1-6-32-21-9-8-20(14-22(21)33-7-2)17(4)29-25(31)19-10-12-30(13-11-19)24-23-16(3)18(5)34-26(23)28-15-27-24/h8-9,14-15,17,19H,6-7,10-13H2,1-5H3,(H,29,31)/t17-/m0/s1
InChIKeyFOZQPUJSFRYBEF-KRWDZBQOSA-N
XLogP5.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 134061206
N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 119587791
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 134030817
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55397767
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198
ethyl 5-methyl-4-[4-[[(2R)-3-methylbutan-2-yl]carbamoyl]piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 97029215
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
N-[2-(dimethylamino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 17415814
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478
ethyl 2-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 24981791

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 40898290) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCOc1ccc([C@H](C)NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is FOZQPUJSFRYBEF-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-6-32-21-9-8-20(14-22(21)33-7-2)17(4)29-25(31)19-10-12-30(13-11-19)24-23-16(3)18(5)34-26(23)28-15-27-24/h8-9,14-15,17,19H,6-7,10-13H2,1-5H3,(H,29,31)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 40898290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).