N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C24H36N2O3 — CID 59433583

IUPACN-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCOc1cc2c(cc1OC)C1(CCN(C3CCCCCC3)CC1)C[C@@H]2NC(C)=O
InChIInChI=1S/C24H36N2O3/c1-17(27)25-21-16-24(20-15-23(29-3)22(28-2)14-19(20)21)10-12-26(13-11-24)18-8-6-4-5-7-9-18/h14-15,18,21H,4-13,16H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyYGCKYIHGDCOKHT-NRFANRHFSA-N
MW400.56 g/mol
LogP4.34
Rot. Bonds4

About N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 59433583) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID59433583
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC NameN-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCOc1cc2c(cc1OC)C1(CCN(C3CCCCCC3)CC1)C[C@@H]2NC(C)=O
InChIInChI=1S/C24H36N2O3/c1-17(27)25-21-16-24(20-15-23(29-3)22(28-2)14-19(20)21)10-12-26(13-11-24)18-8-6-4-5-7-9-18/h14-15,18,21H,4-13,16H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyYGCKYIHGDCOKHT-NRFANRHFSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 59433583) is N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is COc1cc2c(cc1OC)C1(CCN(C3CCCCCC3)CC1)C[C@@H]2NC(C)=O.
What is the InChIKey of N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is YGCKYIHGDCOKHT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-17(27)25-21-16-24(20-15-23(29-3)22(28-2)14-19(20)21)10-12-26(13-11-24)18-8-6-4-5-7-9-18/h14-15,18,21H,4-13,16H2,1-3H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 400.56 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-cycloheptyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 59433583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).