tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate

C23H27N3O2S — CID 141157018

IUPACtert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2nccc3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C23H27N3O2S/c1-23(2,3)28-22(27)26-13-7-10-17(15-26)25-21-18-14-20(16-8-5-4-6-9-16)29-19(18)11-12-24-21/h4-6,8-9,11-12,14,17H,7,10,13,15H2,1-3H3,(H,24,25)/t17-/m0/s1
InChIKeyMSUFHMQYUXLCAQ-KRWDZBQOSA-N
MW409.56 g/mol
LogP5.77
Rot. Bonds3

About tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate

tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 141157018) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate
PubChem CID141157018
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Nametert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2nccc3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C23H27N3O2S/c1-23(2,3)28-22(27)26-13-7-10-17(15-26)25-21-18-14-20(16-8-5-4-6-9-16)29-19(18)11-12-24-21/h4-6,8-9,11-12,14,17H,7,10,13,15H2,1-3H3,(H,24,25)/t17-/m0/s1
InChIKeyMSUFHMQYUXLCAQ-KRWDZBQOSA-N
XLogP5.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl (3R)-3-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 172532235
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl 3-[(6-chloro-5-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 42609078
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564
tert-butyl (3R)-3-[(5-fluoro-6-methoxy-8-methylisoquinolin-1-yl)amino]piperidine-1-carboxylate
CID 172533258
tert-butyl (3R)-3-[[6-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 118532325
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate (CID 141157018) is tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Nc2nccc3sc(-c4ccccc4)cc23)C1.
What is the InChIKey of tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is MSUFHMQYUXLCAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-23(2,3)28-22(27)26-13-7-10-17(15-26)25-21-18-14-20(16-8-5-4-6-9-16)29-19(18)11-12-24-21/h4-6,8-9,11-12,14,17H,7,10,13,15H2,1-3H3,(H,24,25)/t17-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 409.56 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(2-phenylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 141157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).