(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide

C17H23N3OS — CID 95092813

IUPAC(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)N(C)C)C3)nccc2s1
InChIInChI=1S/C17H23N3OS/c1-4-13-10-14-15(22-13)7-8-18-16(14)20-9-5-6-12(11-20)17(21)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m1/s1
InChIKeyREYBAVKIKGGFEW-GFCCVEGCSA-N
MW317.46 g/mol
LogP3.16
Rot. Bonds3

About (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide

(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 95092813) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide
PubChem CID95092813
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)N(C)C)C3)nccc2s1
InChIInChI=1S/C17H23N3OS/c1-4-13-10-14-15(22-13)7-8-18-16(14)20-9-5-6-12(11-20)17(21)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m1/s1
InChIKeyREYBAVKIKGGFEW-GFCCVEGCSA-N
XLogP3.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide (CID 95092813) is (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide is CCc1cc2c(N3CCC[C@@H](C(=O)N(C)C)C3)nccc2s1.
What is the InChIKey of (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is REYBAVKIKGGFEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-13-10-14-15(22-13)7-8-18-16(14)20-9-5-6-12(11-20)17(21)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide?
(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 95092813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).