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

C23H29ClN2O3 — CID 154895064

IUPAC4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2OC)c(C)c1.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-15-14-16(27-2)8-9-17(15)22(26)25-20-18-6-4-5-7-19(18)23(21(20)28-3)10-12-24-13-11-23;/h4-9,14,20-21,24H,10-13H2,1-3H3,(H,25,26);1H/t20-,21+;/m1./s1
InChIKeyOJVNFHDHJIZRPJ-BHDTVMLSSA-N
MW416.95 g/mol
LogP3.55
Rot. Bonds4

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

4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride (PubChem CID 154895064) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
PubChem CID154895064
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2OC)c(C)c1.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-15-14-16(27-2)8-9-17(15)22(26)25-20-18-6-4-5-7-19(18)23(21(20)28-3)10-12-24-13-11-23;/h4-9,14,20-21,24H,10-13H2,1-3H3,(H,25,26);1H/t20-,21+;/m1./s1
InChIKeyOJVNFHDHJIZRPJ-BHDTVMLSSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride (CID 154895064) is 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride is COc1ccc(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2OC)c(C)c1.Cl.
What is the InChIKey of 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is OJVNFHDHJIZRPJ-BHDTVMLSSA-N. The full InChI is InChI=1S/C23H28N2O3.ClH/c1-15-14-16(27-2)8-9-17(15)22(26)25-20-18-6-4-5-7-19(18)23(21(20)28-3)10-12-24-13-11-23;/h4-9,14,20-21,24H,10-13H2,1-3H3,(H,25,26);1H/t20-,21+;/m1./s1.
What are the key properties of 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride?
4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 154895064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).