ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate

C22H24N4O3S — CID 39082118

IUPACethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H24N4O3S/c1-2-29-22(28)16-8-10-26(11-9-16)19(27)13-23-20-17-12-18(15-6-4-3-5-7-15)30-21(17)25-14-24-20/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,23,24,25)
InChIKeyMNIAOBOWGLWKOP-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.57
Rot. Bonds6

About ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 39082118) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
PubChem CID39082118
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Nameethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H24N4O3S/c1-2-29-22(28)16-8-10-26(11-9-16)19(27)13-23-20-17-12-18(15-6-4-3-5-7-15)30-21(17)25-14-24-20/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,23,24,25)
InChIKeyMNIAOBOWGLWKOP-UHFFFAOYSA-N
XLogP3.57
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate 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

ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 47081244
1-(4-benzhydrylpiperazin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081494
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133367589
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 60505649
N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133287212
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
CID 54812742
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085196
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate (CID 39082118) is ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2ncnc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is MNIAOBOWGLWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-2-29-22(28)16-8-10-26(11-9-16)19(27)13-23-20-17-12-18(15-6-4-3-5-7-15)30-21(17)25-14-24-20/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,23,24,25).
What are the key properties of ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 424.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 39082118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).