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

C22H26N4O3S — CID 92877085

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)Nc4ccc(OC)cc4OC)C3)ncnc2s1
InChIInChI=1S/C22H26N4O3S/c1-4-16-11-17-20(23-13-24-22(17)30-16)26-9-5-6-14(12-26)21(27)25-18-8-7-15(28-2)10-19(18)29-3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyNXVKTBQALOSGFO-CQSZACIVSA-N
MW426.54 g/mol
LogP4.13
Rot. Bonds6

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

(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92877085) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92877085
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)Nc4ccc(OC)cc4OC)C3)ncnc2s1
InChIInChI=1S/C22H26N4O3S/c1-4-16-11-17-20(23-13-24-22(17)30-16)26-9-5-6-14(12-26)21(27)25-18-8-7-15(28-2)10-19(18)29-3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyNXVKTBQALOSGFO-CQSZACIVSA-N
XLogP4.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877083
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877191
(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
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46362925
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92877085) is (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1cc2c(N3CCC[C@@H](C(=O)Nc4ccc(OC)cc4OC)C3)ncnc2s1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is NXVKTBQALOSGFO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-16-11-17-20(23-13-24-22(17)30-16)26-9-5-6-14(12-26)21(27)25-18-8-7-15(28-2)10-19(18)29-3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92877085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).