N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C28H42N2O4 — CID 133132407

IUPACN-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCOCCO[C@@H]1[C@@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)CC1CCCCC1)CC2
InChIInChI=1S/C28H42N2O4/c1-20(2)27(32)29-25-22-11-7-8-12-23(22)28(26(25)34-18-17-33-3)13-15-30(16-14-28)24(31)19-21-9-5-4-6-10-21/h7-8,11-12,20-21,25-26H,4-6,9-10,13-19H2,1-3H3,(H,29,32)/t25-,26+/m0/s1
InChIKeyABUZOQKRRCJSNZ-IZZNHLLZSA-N
MW470.65 g/mol
LogP4.38
Rot. Bonds8

About N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 133132407) has the molecular formula C28H42N2O4 and a molecular weight of 470.65 g/mol. Its IUPAC name is N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
PubChem CID133132407
Molecular FormulaC28H42N2O4
Molecular Weight470.65 g/mol
Exact Mass470.31
IUPAC NameN-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCOCCO[C@@H]1[C@@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)CC1CCCCC1)CC2
InChIInChI=1S/C28H42N2O4/c1-20(2)27(32)29-25-22-11-7-8-12-23(22)28(26(25)34-18-17-33-3)13-15-30(16-14-28)24(31)19-21-9-5-4-6-10-21/h7-8,11-12,20-21,25-26H,4-6,9-10,13-19H2,1-3H3,(H,29,32)/t25-,26+/m0/s1
InChIKeyABUZOQKRRCJSNZ-IZZNHLLZSA-N
XLogP4.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118754439
N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133135134
N-[(1R,2R)-2-(2-methoxyethoxy)-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 42407522
N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 42272818
N-[(1S,2S)-1'-(1,3-benzodioxole-5-carbonyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133126931
N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 91939940
N-[(1S,2S)-1'-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133139315
N-[(1R,2R)-1'-(3,3-dimethylbutanoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42449603
N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 42162365
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 26275022
N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133126140

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 133132407) is N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is COCCO[C@@H]1[C@@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)CC1CCCCC1)CC2.
What is the InChIKey of N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The InChIKey is ABUZOQKRRCJSNZ-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H42N2O4/c1-20(2)27(32)29-25-22-11-7-8-12-23(22)28(26(25)34-18-17-33-3)13-15-30(16-14-28)24(31)19-21-9-5-4-6-10-21/h7-8,11-12,20-21,25-26H,4-6,9-10,13-19H2,1-3H3,(H,29,32)/t25-,26+/m0/s1.
What are the key properties of N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 470.65 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1'-(2-cyclohexylacetyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 133132407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).