N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride

C20H26ClN3O2 — CID 154894094

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCO[C@H]1[C@H](NC(=O)c2cccn2C)c2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-23-13-5-8-16(23)19(24)22-17-14-6-3-4-7-15(14)20(18(17)25-2)9-11-21-12-10-20;/h3-8,13,17-18,21H,9-12H2,1-2H3,(H,22,24);1H/t17-,18+;/m1./s1
InChIKeyMMWGNWVUUKNRMV-URBRKQAFSA-N
MW375.90 g/mol
LogP2.57
Rot. Bonds3

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 154894094) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID154894094
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCO[C@H]1[C@H](NC(=O)c2cccn2C)c2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-23-13-5-8-16(23)19(24)22-17-14-6-3-4-7-15(14)20(18(17)25-2)9-11-21-12-10-20;/h3-8,13,17-18,21H,9-12H2,1-2H3,(H,22,24);1H/t17-,18+;/m1./s1
InChIKeyMMWGNWVUUKNRMV-URBRKQAFSA-N
XLogP2.57
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride (CID 154894094) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride is CO[C@H]1[C@H](NC(=O)c2cccn2C)c2ccccc2C12CCNCC2.Cl.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is MMWGNWVUUKNRMV-URBRKQAFSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-23-13-5-8-16(23)19(24)22-17-14-6-3-4-7-15(14)20(18(17)25-2)9-11-21-12-10-20;/h3-8,13,17-18,21H,9-12H2,1-2H3,(H,22,24);1H/t17-,18+;/m1./s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154894094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).