1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide

C22H32N2O — CID 71132022

IUPAC1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCNC(=O)C1=CC2(CCN(CC3CCCCC3)CC2)C2C=CC=CC12
InChIInChI=1S/C22H32N2O/c1-23-21(25)19-15-22(20-10-6-5-9-18(19)20)11-13-24(14-12-22)16-17-7-3-2-4-8-17/h5-6,9-10,15,17-18,20H,2-4,7-8,11-14,16H2,1H3,(H,23,25)
InChIKeyZHEIFNWPBRVVFK-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.69
Rot. Bonds3

About 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide

1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 71132022) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID71132022
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCNC(=O)C1=CC2(CCN(CC3CCCCC3)CC2)C2C=CC=CC12
InChIInChI=1S/C22H32N2O/c1-23-21(25)19-15-22(20-10-6-5-9-18(19)20)11-13-24(14-12-22)16-17-7-3-2-4-8-17/h5-6,9-10,15,17-18,20H,2-4,7-8,11-14,16H2,1H3,(H,23,25)
InChIKeyZHEIFNWPBRVVFK-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 71132022) is 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide is CNC(=O)C1=CC2(CCN(CC3CCCCC3)CC2)C2C=CC=CC12.
What is the InChIKey of 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is ZHEIFNWPBRVVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-23-21(25)19-15-22(20-10-6-5-9-18(19)20)11-13-24(14-12-22)16-17-7-3-2-4-8-17/h5-6,9-10,15,17-18,20H,2-4,7-8,11-14,16H2,1H3,(H,23,25).
What are the key properties of 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)-N-methylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 71132022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).