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

C21H23ClN4OS — CID 92877223

IUPAC(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ncnc2s1
InChIInChI=1S/C21H23ClN4OS/c1-2-17-10-18-19(24-13-25-21(18)28-17)26-8-4-6-15(12-26)20(27)23-11-14-5-3-7-16(22)9-14/h3,5,7,9-10,13,15H,2,4,6,8,11-12H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyAQWSZBZBOWYVRY-OAHLLOKOSA-N
MW414.96 g/mol
LogP4.44
Rot. Bonds5

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

(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92877223) has the molecular formula C21H23ClN4OS and a molecular weight of 414.96 g/mol. Its IUPAC name is (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92877223
Molecular FormulaC21H23ClN4OS
Molecular Weight414.96 g/mol
Exact Mass414.13
IUPAC Name(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ncnc2s1
InChIInChI=1S/C21H23ClN4OS/c1-2-17-10-18-19(24-13-25-21(18)28-17)26-8-4-6-15(12-26)20(27)23-11-14-5-3-7-16(22)9-14/h3,5,7,9-10,13,15H,2,4,6,8,11-12H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyAQWSZBZBOWYVRY-OAHLLOKOSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(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
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(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-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46362925
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92877179
(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92877156
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92877223) is (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1cc2c(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ncnc2s1.
What is the InChIKey of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is AQWSZBZBOWYVRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23ClN4OS/c1-2-17-10-18-19(24-13-25-21(18)28-17)26-8-4-6-15(12-26)20(27)23-11-14-5-3-7-16(22)9-14/h3,5,7,9-10,13,15H,2,4,6,8,11-12H2,1H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 414.96 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92877223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).