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

C21H23ClN4O2S — CID 92877083

IUPAC(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)Nc4ccc(OC)c(Cl)c4)C3)ncnc2s1
InChIInChI=1S/C21H23ClN4O2S/c1-3-15-10-16-19(23-12-24-21(16)29-15)26-8-4-5-13(11-26)20(27)25-14-6-7-18(28-2)17(22)9-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,25,27)/t13-/m1/s1
InChIKeyMGZSLOMVIZMPLL-CYBMUJFWSA-N
MW430.96 g/mol
LogP4.77
Rot. Bonds5

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

(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92877083) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92877083
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)Nc4ccc(OC)c(Cl)c4)C3)ncnc2s1
InChIInChI=1S/C21H23ClN4O2S/c1-3-15-10-16-19(23-12-24-21(16)29-15)26-8-4-5-13(11-26)20(27)25-14-6-7-18(28-2)17(22)9-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,25,27)/t13-/m1/s1
InChIKeyMGZSLOMVIZMPLL-CYBMUJFWSA-N
XLogP4.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877085
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877191
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92877083) is (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1cc2c(N3CCC[C@@H](C(=O)Nc4ccc(OC)c(Cl)c4)C3)ncnc2s1.
What is the InChIKey of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MGZSLOMVIZMPLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-3-15-10-16-19(23-12-24-21(16)29-15)26-8-4-5-13(11-26)20(27)25-14-6-7-18(28-2)17(22)9-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,25,27)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 430.96 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92877083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).