N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide

C21H22N2O — CID 10403606

IUPACN-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1
InChIInChI=1S/C21H22N2O/c1-16-6-8-18(9-7-16)22-20(24)23-14-12-21(13-15-23)11-10-17-4-2-3-5-19(17)21/h2-11H,12-15H2,1H3,(H,22,24)
InChIKeyZRVVRLAPDXVKKO-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.59
Rot. Bonds1

About N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide

N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide (PubChem CID 10403606) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
PubChem CID10403606
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1
InChIInChI=1S/C21H22N2O/c1-16-6-8-18(9-7-16)22-20(24)23-14-12-21(13-15-23)11-10-17-4-2-3-5-19(17)21/h2-11H,12-15H2,1H3,(H,22,24)
InChIKeyZRVVRLAPDXVKKO-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide (CID 10403606) is N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide is Cc1ccc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
The InChIKey is ZRVVRLAPDXVKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16-6-8-18(9-7-16)22-20(24)23-14-12-21(13-15-23)11-10-17-4-2-3-5-19(17)21/h2-11H,12-15H2,1H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)spiro[indene-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 10403606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).