N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C23H27BrN4OS — CID 134061206

IUPACN-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccc(Br)cc1
InChIInChI=1S/C23H27BrN4OS/c1-4-19(16-5-7-18(24)8-6-16)27-22(29)17-9-11-28(12-10-17)21-20-14(2)15(3)30-23(20)26-13-25-21/h5-8,13,17,19H,4,9-12H2,1-3H3,(H,27,29)
InChIKeyMQYNZTKNNDDTGR-UHFFFAOYSA-N
MW487.47 g/mol
LogP5.55
Rot. Bonds5

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

N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 134061206) has the molecular formula C23H27BrN4OS and a molecular weight of 487.47 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID134061206
Molecular FormulaC23H27BrN4OS
Molecular Weight487.47 g/mol
Exact Mass486.11
IUPAC NameN-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccc(Br)cc1
InChIInChI=1S/C23H27BrN4OS/c1-4-19(16-5-7-18(24)8-6-16)27-22(29)17-9-11-28(12-10-17)21-20-14(2)15(3)30-23(20)26-13-25-21/h5-8,13,17,19H,4,9-12H2,1-3H3,(H,27,29)
InChIKeyMQYNZTKNNDDTGR-UHFFFAOYSA-N
XLogP5.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-bromophenyl)propyl]-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-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 40898290
N'-[2-(4-bromophenoxy)acetyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbohydrazide
CID 24979393
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
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198
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-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55397767
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
CID 112816452
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55661621

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 134061206) is N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCC(NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is MQYNZTKNNDDTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4OS/c1-4-19(16-5-7-18(24)8-6-16)27-22(29)17-9-11-28(12-10-17)21-20-14(2)15(3)30-23(20)26-13-25-21/h5-8,13,17,19H,4,9-12H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 134061206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).