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

C22H26N4OS — CID 92877263

IUPAC(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ncnc2s1
InChIInChI=1S/C22H26N4OS/c1-2-18-13-19-20(24-15-25-22(19)28-18)26-12-6-9-17(14-26)21(27)23-11-10-16-7-4-3-5-8-16/h3-5,7-8,13,15,17H,2,6,9-12,14H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeySDCBKTDYFCZTRI-QGZVFWFLSA-N
MW394.54 g/mol
LogP3.83
Rot. Bonds6

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

(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 92877263) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID92877263
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ncnc2s1
InChIInChI=1S/C22H26N4OS/c1-2-18-13-19-20(24-15-25-22(19)28-18)26-12-6-9-17(14-26)21(27)23-11-10-16-7-4-3-5-8-16/h3-5,7-8,13,15,17H,2,6,9-12,14H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeySDCBKTDYFCZTRI-QGZVFWFLSA-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

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

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Related Compounds

(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46362925
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362929
(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92877156
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 92877263) is (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is CCc1cc2c(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ncnc2s1.
What is the InChIKey of (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is SDCBKTDYFCZTRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-2-18-13-19-20(24-15-25-22(19)28-18)26-12-6-9-17(14-26)21(27)23-11-10-16-7-4-3-5-8-16/h3-5,7-8,13,15,17H,2,6,9-12,14H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-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 (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92877263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).