1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

C22H33N5OS — CID 46362925

IUPAC1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCCC(C(=O)NCCN4CCC(C)CC4)C3)ncnc2s1
InChIInChI=1S/C22H33N5OS/c1-3-18-13-19-20(24-15-25-22(19)29-18)27-9-4-5-17(14-27)21(28)23-8-12-26-10-6-16(2)7-11-26/h13,15-17H,3-12,14H2,1-2H3,(H,23,28)
InChIKeyBTSJCHQWHGDTND-UHFFFAOYSA-N
MW415.61 g/mol
LogP3.32
Rot. Bonds6

About 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 46362925) has the molecular formula C22H33N5OS and a molecular weight of 415.61 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID46362925
Molecular FormulaC22H33N5OS
Molecular Weight415.61 g/mol
Exact Mass415.24
IUPAC Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCCC(C(=O)NCCN4CCC(C)CC4)C3)ncnc2s1
InChIInChI=1S/C22H33N5OS/c1-3-18-13-19-20(24-15-25-22(19)29-18)27-9-4-5-17(14-27)21(28)23-8-12-26-10-6-16(2)7-11-26/h13,15-17H,3-12,14H2,1-2H3,(H,23,28)
InChIKeyBTSJCHQWHGDTND-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92877156
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362929
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877085
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (CID 46362925) is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is CCc1cc2c(N3CCCC(C(=O)NCCN4CCC(C)CC4)C3)ncnc2s1.
What is the InChIKey of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is BTSJCHQWHGDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5OS/c1-3-18-13-19-20(24-15-25-22(19)29-18)27-9-4-5-17(14-27)21(28)23-8-12-26-10-6-16(2)7-11-26/h13,15-17H,3-12,14H2,1-2H3,(H,23,28).
What are the key properties of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 415.61 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46362925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).