[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone

C25H30N2O2 — CID 23933633

IUPAC[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc2c(c1)C1(CCN(CC3CC3)CC1)CN2C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H30N2O2/c1-18-3-7-20(8-4-18)24(28)27-17-25(22-15-21(29-2)9-10-23(22)27)11-13-26(14-12-25)16-19-5-6-19/h3-4,7-10,15,19H,5-6,11-14,16-17H2,1-2H3
InChIKeyJWEMYBQJUVEAJO-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.41
Rot. Bonds4

About [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone

[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone (PubChem CID 23933633) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
PubChem CID23933633
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc2c(c1)C1(CCN(CC3CC3)CC1)CN2C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H30N2O2/c1-18-3-7-20(8-4-18)24(28)27-17-25(22-15-21(29-2)9-10-23(22)27)11-13-26(14-12-25)16-19-5-6-19/h3-4,7-10,15,19H,5-6,11-14,16-17H2,1-2H3
InChIKeyJWEMYBQJUVEAJO-UHFFFAOYSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone (CID 23933633) is [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone is COc1ccc2c(c1)C1(CCN(CC3CC3)CC1)CN2C(=O)c1ccc(C)cc1.
What is the InChIKey of [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone?
The InChIKey is JWEMYBQJUVEAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-3-7-20(8-4-18)24(28)27-17-25(22-15-21(29-2)9-10-23(22)27)11-13-26(14-12-25)16-19-5-6-19/h3-4,7-10,15,19H,5-6,11-14,16-17H2,1-2H3.
What are the key properties of [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone?
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone has a molecular weight of 390.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 23933633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).