N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

C24H30N4O3S — CID 53198768

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1nc(N2CCC(C(=O)NCc3ccc(OC)cc3OC)CC2)c2c(C)scc2n1
InChIInChI=1S/C24H30N4O3S/c1-5-21-26-19-14-32-15(2)22(19)23(27-21)28-10-8-16(9-11-28)24(29)25-13-17-6-7-18(30-3)12-20(17)31-4/h6-7,12,14,16H,5,8-11,13H2,1-4H3,(H,25,29)
InChIKeyMIZJTIFYOUOEGN-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.11
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53198768) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53198768
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1nc(N2CCC(C(=O)NCc3ccc(OC)cc3OC)CC2)c2c(C)scc2n1
InChIInChI=1S/C24H30N4O3S/c1-5-21-26-19-14-32-15(2)22(19)23(27-21)28-10-8-16(9-11-28)24(29)25-13-17-6-7-18(30-3)12-20(17)31-4/h6-7,12,14,16H,5,8-11,13H2,1-4H3,(H,25,29)
InChIKeyMIZJTIFYOUOEGN-UHFFFAOYSA-N
XLogP4.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070510
N-[(2,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55577918
N-[(2,4-dimethoxyphenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115864
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
CID 46349740
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115036
N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857739

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 53198768) is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCc1nc(N2CCC(C(=O)NCc3ccc(OC)cc3OC)CC2)c2c(C)scc2n1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is MIZJTIFYOUOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-5-21-26-19-14-32-15(2)22(19)23(27-21)28-10-8-16(9-11-28)24(29)25-13-17-6-7-18(30-3)12-20(17)31-4/h6-7,12,14,16H,5,8-11,13H2,1-4H3,(H,25,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53198768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).