3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide

C19H21ClN2O2S — CID 70781729

IUPAC3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2sccc2Cl)c2ccccc2C12CCNCC2
InChIInChI=1S/C19H21ClN2O2S/c1-24-17-15(22-18(23)16-14(20)6-11-25-16)12-4-2-3-5-13(12)19(17)7-9-21-10-8-19/h2-6,11,15,17,21H,7-10H2,1H3,(H,22,23)/t15-,17+/m1/s1
InChIKeyDIRIYFSEEBSZQO-WBVHZDCISA-N
MW376.91 g/mol
LogP3.52
Rot. Bonds3

About 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide

3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (PubChem CID 70781729) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
PubChem CID70781729
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2sccc2Cl)c2ccccc2C12CCNCC2
InChIInChI=1S/C19H21ClN2O2S/c1-24-17-15(22-18(23)16-14(20)6-11-25-16)12-4-2-3-5-13(12)19(17)7-9-21-10-8-19/h2-6,11,15,17,21H,7-10H2,1H3,(H,22,23)/t15-,17+/m1/s1
InChIKeyDIRIYFSEEBSZQO-WBVHZDCISA-N
XLogP3.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (CID 70781729) is 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2sccc2Cl)c2ccccc2C12CCNCC2.
What is the InChIKey of 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The InChIKey is DIRIYFSEEBSZQO-WBVHZDCISA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-24-17-15(22-18(23)16-14(20)6-11-25-16)12-4-2-3-5-13(12)19(17)7-9-21-10-8-19/h2-6,11,15,17,21H,7-10H2,1H3,(H,22,23)/t15-,17+/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70781729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).