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

C22H26N4OS — CID 46362806

IUPAC1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCc1cc2c(N3CCC(C(=O)NCCc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C22H26N4OS/c1-2-18-14-19-20(24-15-25-22(19)28-18)26-12-9-17(10-13-26)21(27)23-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13H2,1H3,(H,23,27)
InChIKeyKROMWKYNYKSOJA-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.83
Rot. Bonds6

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

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 46362806) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID46362806
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCc1cc2c(N3CCC(C(=O)NCCc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C22H26N4OS/c1-2-18-14-19-20(24-15-25-22(19)28-18)26-12-9-17(10-13-26)21(27)23-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13H2,1H3,(H,23,27)
InChIKeyKROMWKYNYKSOJA-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
(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-4-carboxamide
CID 46362775
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362799
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362929

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 46362806) is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide is CCc1cc2c(N3CCC(C(=O)NCCc4ccccc4)CC3)ncnc2s1.
What is the InChIKey of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KROMWKYNYKSOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-2-18-14-19-20(24-15-25-22(19)28-18)26-12-9-17(10-13-26)21(27)23-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13H2,1H3,(H,23,27).
What are the key properties of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46362806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).