2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid

C16H20N4O3S — CID 90389331

IUPAC2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid
SMILESNC(=O)c1cc2ccnc(N3CCC(CCNC(=O)O)CC3)c2s1
InChIInChI=1S/C16H20N4O3S/c17-14(21)12-9-11-2-6-18-15(13(11)24-12)20-7-3-10(4-8-20)1-5-19-16(22)23/h2,6,9-10,19H,1,3-5,7-8H2,(H2,17,21)(H,22,23)
InChIKeyWPUVMNNGYRMJRA-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.27
Rot. Bonds5

About 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 90389331) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID90389331
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid
SMILESNC(=O)c1cc2ccnc(N3CCC(CCNC(=O)O)CC3)c2s1
InChIInChI=1S/C16H20N4O3S/c17-14(21)12-9-11-2-6-18-15(13(11)24-12)20-7-3-10(4-8-20)1-5-19-16(22)23/h2,6,9-10,19H,1,3-5,7-8H2,(H2,17,21)(H,22,23)
InChIKeyWPUVMNNGYRMJRA-UHFFFAOYSA-N
XLogP2.27
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid (CID 90389331) is 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid is NC(=O)c1cc2ccnc(N3CCC(CCNC(=O)O)CC3)c2s1.
What is the InChIKey of 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is WPUVMNNGYRMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-14(21)12-9-11-2-6-18-15(13(11)24-12)20-7-3-10(4-8-20)1-5-19-16(22)23/h2,6,9-10,19H,1,3-5,7-8H2,(H2,17,21)(H,22,23).
What are the key properties of 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 348.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 90389331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).