N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide

C24H32N4O2S — CID 75271031

IUPACN-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(C2=CSC3C(=O)NC(N4CCCC(C(=O)NC5CCCC5)C4)NC23)cc1
InChIInChI=1S/C24H32N4O2S/c1-15-8-10-16(11-9-15)19-14-31-21-20(19)26-24(27-23(21)30)28-12-4-5-17(13-28)22(29)25-18-6-2-3-7-18/h8-11,14,17-18,20-21,24,26H,2-7,12-13H2,1H3,(H,25,29)(H,27,30)
InChIKeyXRUVOPBWMVSWFC-UHFFFAOYSA-N
MW440.61 g/mol
LogP2.59
Rot. Bonds4

About N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide

N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 75271031) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID75271031
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(C2=CSC3C(=O)NC(N4CCCC(C(=O)NC5CCCC5)C4)NC23)cc1
InChIInChI=1S/C24H32N4O2S/c1-15-8-10-16(11-9-15)19-14-31-21-20(19)26-24(27-23(21)30)28-12-4-5-17(13-28)22(29)25-18-6-2-3-7-18/h8-11,14,17-18,20-21,24,26H,2-7,12-13H2,1H3,(H,25,29)(H,27,30)
InChIKeyXRUVOPBWMVSWFC-UHFFFAOYSA-N
XLogP2.59
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-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

methyl 2-[[1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carbonyl]amino]acetate
CID 75271055
ethyl 2-[[1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carbonyl]amino]acetate
CID 75271056
N-[(2-methylphenyl)methyl]-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 75271058
N-(4-methylcyclohexyl)-1-[7-(2-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 75271126
N-(2,3-dihydro-1H-inden-1-yl)-1-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide
CID 75271011
1-[7-(2-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]-N-prop-2-enylpiperidine-3-carboxamide
CID 75271121
N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814408
(3S)-N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733295
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930506
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide (CID 75271031) is N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide is Cc1ccc(C2=CSC3C(=O)NC(N4CCCC(C(=O)NC5CCCC5)C4)NC23)cc1.
What is the InChIKey of N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is XRUVOPBWMVSWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-15-8-10-16(11-9-15)19-14-31-21-20(19)26-24(27-23(21)30)28-12-4-5-17(13-28)22(29)25-18-6-2-3-7-18/h8-11,14,17-18,20-21,24,26H,2-7,12-13H2,1H3,(H,25,29)(H,27,30).
What are the key properties of N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide?
N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[7-(4-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 75271031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).