tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate

C24H25N3O3S — CID 86635638

IUPACtert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Oc2ncc(C#N)c3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C24H25N3O3S/c1-24(2,3)30-23(28)27-11-7-10-18(15-27)29-22-19-12-20(16-8-5-4-6-9-16)31-21(19)17(13-25)14-26-22/h4-6,8-9,12,14,18H,7,10-11,15H2,1-3H3/t18-/m0/s1
InChIKeyRMHLJJGTHAPPBO-SFHVURJKSA-N
MW435.55 g/mol
LogP5.61
Rot. Bonds3

About tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate

tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 86635638) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate
PubChem CID86635638
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Nametert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Oc2ncc(C#N)c3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C24H25N3O3S/c1-24(2,3)30-23(28)27-11-7-10-18(15-27)29-22-19-12-20(16-8-5-4-6-9-16)31-21(19)17(13-25)14-26-22/h4-6,8-9,12,14,18H,7,10-11,15H2,1-3H3/t18-/m0/s1
InChIKeyRMHLJJGTHAPPBO-SFHVURJKSA-N
XLogP5.61
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
CID 71648506
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 141157018
tert-butyl 3-(3-cyanoisoquinolin-1-yl)oxypyrrolidine-1-carboxylate;ethane
CID 145378880
tert-butyl 3-(3-isocyanatophenoxy)piperidine-1-carboxylate
CID 169354657
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
CID 24902463

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate (CID 86635638) is tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Oc2ncc(C#N)c3sc(-c4ccccc4)cc23)C1.
What is the InChIKey of tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is RMHLJJGTHAPPBO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-24(2,3)30-23(28)27-11-7-10-18(15-27)29-22-19-12-20(16-8-5-4-6-9-16)31-21(19)17(13-25)14-26-22/h4-6,8-9,12,14,18H,7,10-11,15H2,1-3H3/t18-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 435.55 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(7-cyano-2-phenylthieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 86635638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).