molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C24H38N2O — CID 162094344

IUPACmolecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCCC1CCC(N2CCC3(CC2)C[C@H](NC(C)=O)c2ccccc23)CC1.[H][H]
InChIInChI=1S/C24H36N2O.H2/c1-3-6-19-9-11-20(12-10-19)26-15-13-24(14-16-26)17-23(25-18(2)27)21-7-4-5-8-22(21)24;/h4-5,7-8,19-20,23H,3,6,9-17H2,1-2H3,(H,25,27);1H/t19?,20?,23-;/m0./s1
InChIKeyZEAQZSVENADKMU-GPZZPYCBSA-N
MW370.58 g/mol
LogP5.21
Rot. Bonds4

About molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 162094344) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID162094344
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Namemolecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCCC1CCC(N2CCC3(CC2)C[C@H](NC(C)=O)c2ccccc23)CC1.[H][H]
InChIInChI=1S/C24H36N2O.H2/c1-3-6-19-9-11-20(12-10-19)26-15-13-24(14-16-26)17-23(25-18(2)27)21-7-4-5-8-22(21)24;/h4-5,7-8,19-20,23H,3,6,9-17H2,1-2H3,(H,25,27);1H/t19?,20?,23-;/m0./s1
InChIKeyZEAQZSVENADKMU-GPZZPYCBSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 162094344) is molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CCCC1CCC(N2CCC3(CC2)C[C@H](NC(C)=O)c2ccccc23)CC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is ZEAQZSVENADKMU-GPZZPYCBSA-N. The full InChI is InChI=1S/C24H36N2O.H2/c1-3-6-19-9-11-20(12-10-19)26-15-13-24(14-16-26)17-23(25-18(2)27)21-7-4-5-8-22(21)24;/h4-5,7-8,19-20,23H,3,6,9-17H2,1-2H3,(H,25,27);1H/t19?,20?,23-;/m0./s1.
What are the key properties of molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 370.58 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 162094344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).