N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide

C28H34N4O2S — CID 71766256

IUPACN-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide
SMILESCCNC(=O)[C@H]1CCC[C@H](NC(=O)C2CCN(c3nc4sccc4cc3-c3ccccc3)CC2)C1
InChIInChI=1S/C28H34N4O2S/c1-2-29-26(33)21-9-6-10-23(17-21)30-27(34)20-11-14-32(15-12-20)25-24(19-7-4-3-5-8-19)18-22-13-16-35-28(22)31-25/h3-5,7-8,13,16,18,20-21,23H,2,6,9-12,14-15,17H2,1H3,(H,29,33)(H,30,34)/t21-,23-/m0/s1
InChIKeyHXICEWMYNPAZRI-GMAHTHKFSA-N
MW490.67 g/mol
LogP4.99
Rot. Bonds6

About N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide

N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide (PubChem CID 71766256) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide
PubChem CID71766256
Molecular FormulaC28H34N4O2S
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC NameN-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide
SMILESCCNC(=O)[C@H]1CCC[C@H](NC(=O)C2CCN(c3nc4sccc4cc3-c3ccccc3)CC2)C1
InChIInChI=1S/C28H34N4O2S/c1-2-29-26(33)21-9-6-10-23(17-21)30-27(34)20-11-14-32(15-12-20)25-24(19-7-4-3-5-8-19)18-22-13-16-35-28(22)31-25/h3-5,7-8,13,16,18,20-21,23H,2,6,9-12,14-15,17H2,1H3,(H,29,33)(H,30,34)/t21-,23-/m0/s1
InChIKeyHXICEWMYNPAZRI-GMAHTHKFSA-N
XLogP4.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide (CID 71766256) is N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide is CCNC(=O)[C@H]1CCC[C@H](NC(=O)C2CCN(c3nc4sccc4cc3-c3ccccc3)CC2)C1.
What is the InChIKey of N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide?
The InChIKey is HXICEWMYNPAZRI-GMAHTHKFSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-2-29-26(33)21-9-6-10-23(17-21)30-27(34)20-11-14-32(15-12-20)25-24(19-7-4-3-5-8-19)18-22-13-16-35-28(22)31-25/h3-5,7-8,13,16,18,20-21,23H,2,6,9-12,14-15,17H2,1H3,(H,29,33)(H,30,34)/t21-,23-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide?
N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide has a molecular weight of 490.67 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71766256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).