tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate

C19H24ClN3O4S — CID 154671149

IUPACtert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCn1cc(Cl)c2sc(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2c1=O
InChIInChI=1S/C19H24ClN3O4S/c1-19(2,3)27-18(26)23-7-5-6-11(9-23)16(24)21-14-8-12-15(28-14)13(20)10-22(4)17(12)25/h8,10-11H,5-7,9H2,1-4H3,(H,21,24)
InChIKeyYRTZPGJXIXWDSV-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 154671149) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID154671149
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Nametert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCn1cc(Cl)c2sc(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2c1=O
InChIInChI=1S/C19H24ClN3O4S/c1-19(2,3)27-18(26)23-7-5-6-11(9-23)16(24)21-14-8-12-15(28-14)13(20)10-22(4)17(12)25/h8,10-11H,5-7,9H2,1-4H3,(H,21,24)
InChIKeyYRTZPGJXIXWDSV-UHFFFAOYSA-N
XLogP3.84
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl 3-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 172581333
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl 3-[(4-methylpiperazin-1-yl)carbamoyl]piperidine-1-carboxylate
CID 84556160
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate (CID 154671149) is tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate is Cn1cc(Cl)c2sc(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2c1=O.
What is the InChIKey of tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is YRTZPGJXIXWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-19(2,3)27-18(26)23-7-5-6-11(9-23)16(24)21-14-8-12-15(28-14)13(20)10-22(4)17(12)25/h8,10-11H,5-7,9H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 425.94 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 154671149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).