5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H29N3O2S — CID 72932907

IUPAC5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCN1CCC(CC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-4-21-8-5-14(6-9-21)11-18(23)22-10-7-16-15(13-22)12-17(25-16)19(24)20(2)3/h12,14H,4-11,13H2,1-3H3
InChIKeyUXBQGUNGXDAGCD-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.46
Rot. Bonds4

About 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 72932907) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID72932907
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCN1CCC(CC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-4-21-8-5-14(6-9-21)11-18(23)22-10-7-16-15(13-22)12-17(25-16)19(24)20(2)3/h12,14H,4-11,13H2,1-3H3
InChIKeyUXBQGUNGXDAGCD-UHFFFAOYSA-N
XLogP2.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 72932907) is 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCN1CCC(CC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CC1.
What is the InChIKey of 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is UXBQGUNGXDAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-4-21-8-5-14(6-9-21)11-18(23)22-10-7-16-15(13-22)12-17(25-16)19(24)20(2)3/h12,14H,4-11,13H2,1-3H3.
What are the key properties of 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 72932907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).