4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid

C26H29N3O6S — CID 66892582

IUPAC4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid
SMILESCCOc1c(C(=O)NC2CCN(C(=O)O)CC2)sc2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12
InChIInChI=1S/C26H29N3O6S/c1-3-18-14-20-21(25(32)29(18)15-19(30)16-8-6-5-7-9-16)22(35-4-2)23(36-20)24(31)27-17-10-12-28(13-11-17)26(33)34/h5-9,14,17H,3-4,10-13,15H2,1-2H3,(H,27,31)(H,33,34)
InChIKeyUSBVYKTVAAEGNL-UHFFFAOYSA-N
MW511.60 g/mol
LogP3.78
Rot. Bonds8

About 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid

4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid (PubChem CID 66892582) has the molecular formula C26H29N3O6S and a molecular weight of 511.60 g/mol. Its IUPAC name is 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid
PubChem CID66892582
Molecular FormulaC26H29N3O6S
Molecular Weight511.60 g/mol
Exact Mass511.18
IUPAC Name4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid
SMILESCCOc1c(C(=O)NC2CCN(C(=O)O)CC2)sc2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12
InChIInChI=1S/C26H29N3O6S/c1-3-18-14-20-21(25(32)29(18)15-19(30)16-8-6-5-7-9-16)22(35-4-2)23(36-20)24(31)27-17-10-12-28(13-11-17)26(33)34/h5-9,14,17H,3-4,10-13,15H2,1-2H3,(H,27,31)(H,33,34)
InChIKeyUSBVYKTVAAEGNL-UHFFFAOYSA-N
XLogP3.78
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

3-ethoxy-6-ethyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 121275278
3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride
CID 66891714
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-(3,4,6-trichloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 47016277
N-[(1-phenacylpiperidin-4-yl)carbamoyl]benzamide
CID 12608588
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
tert-butyl 4-[(3-methoxy-6-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 70973260
3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856764
4-[(4-ethoxybenzoyl)amino]-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 3218431
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid (CID 66892582) is 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid is CCOc1c(C(=O)NC2CCN(C(=O)O)CC2)sc2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12.
What is the InChIKey of 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid?
The InChIKey is USBVYKTVAAEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S/c1-3-18-14-20-21(25(32)29(18)15-19(30)16-8-6-5-7-9-16)22(35-4-2)23(36-20)24(31)27-17-10-12-28(13-11-17)26(33)34/h5-9,14,17H,3-4,10-13,15H2,1-2H3,(H,27,31)(H,33,34).
What are the key properties of 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid?
4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid has a molecular weight of 511.60 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 66892582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).