1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C27H35N3O2 — CID 134073521

IUPAC1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCCN(CCNC(=O)C1CC2(CCN(C(C)=O)CC2)c2ccccc21)c1cccc(C)c1
InChIInChI=1S/C27H35N3O2/c1-4-29(22-9-7-8-20(2)18-22)17-14-28-26(32)24-19-27(25-11-6-5-10-23(24)25)12-15-30(16-13-27)21(3)31/h5-11,18,24H,4,12-17,19H2,1-3H3,(H,28,32)
InChIKeyPMHQZRSHONZOFD-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.01
Rot. Bonds6

About 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 134073521) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID134073521
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCCN(CCNC(=O)C1CC2(CCN(C(C)=O)CC2)c2ccccc21)c1cccc(C)c1
InChIInChI=1S/C27H35N3O2/c1-4-29(22-9-7-8-20(2)18-22)17-14-28-26(32)24-19-27(25-11-6-5-10-23(24)25)12-15-30(16-13-27)21(3)31/h5-11,18,24H,4,12-17,19H2,1-3H3,(H,28,32)
InChIKeyPMHQZRSHONZOFD-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 134073521) is 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CCN(CCNC(=O)C1CC2(CCN(C(C)=O)CC2)c2ccccc21)c1cccc(C)c1.
What is the InChIKey of 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is PMHQZRSHONZOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-29(22-9-7-8-20(2)18-22)17-14-28-26(32)24-19-27(25-11-6-5-10-23(24)25)12-15-30(16-13-27)21(3)31/h5-11,18,24H,4,12-17,19H2,1-3H3,(H,28,32).
What are the key properties of 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 134073521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).