N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C25H32N2O2 — CID 118755045

IUPACN-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCCN1CCC2(CC1)c1ccccc1[C@@H](NC(C)=O)[C@@H]2OCc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-3-15-27-16-13-25(14-17-27)22-12-8-7-11-21(22)23(26-19(2)28)24(25)29-18-20-9-5-4-6-10-20/h4-12,23-24H,3,13-18H2,1-2H3,(H,26,28)/t23-,24+/m1/s1
InChIKeyALVYBIGSTWHMRP-RPWUZVMVSA-N
MW392.54 g/mol
LogP4.21
Rot. Bonds6

About N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 118755045) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID118755045
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCCN1CCC2(CC1)c1ccccc1[C@@H](NC(C)=O)[C@@H]2OCc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-3-15-27-16-13-25(14-17-27)22-12-8-7-11-21(22)23(26-19(2)28)24(25)29-18-20-9-5-4-6-10-20/h4-12,23-24H,3,13-18H2,1-2H3,(H,26,28)/t23-,24+/m1/s1
InChIKeyALVYBIGSTWHMRP-RPWUZVMVSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 118755045) is N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CCCN1CCC2(CC1)c1ccccc1[C@@H](NC(C)=O)[C@@H]2OCc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is ALVYBIGSTWHMRP-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-3-15-27-16-13-25(14-17-27)22-12-8-7-11-21(22)23(26-19(2)28)24(25)29-18-20-9-5-4-6-10-20/h4-12,23-24H,3,13-18H2,1-2H3,(H,26,28)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 392.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 118755045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).