2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone

C24H32N2O3 — CID 131696461

IUPAC2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
SMILESO=C(CC1(O)CCC1)N1CCC2(CC1)CC(C(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C24H32N2O3/c27-21(17-24(29)8-5-9-24)25-14-10-23(11-15-25)16-19(18-6-1-2-7-20(18)23)22(28)26-12-3-4-13-26/h1-2,6-7,19,29H,3-5,8-17H2
InChIKeyAEHBUTVPVXSAES-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.96
Rot. Bonds3

About 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone

2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 131696461) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
PubChem CID131696461
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
SMILESO=C(CC1(O)CCC1)N1CCC2(CC1)CC(C(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C24H32N2O3/c27-21(17-24(29)8-5-9-24)25-14-10-23(11-15-25)16-19(18-6-1-2-7-20(18)23)22(28)26-12-3-4-13-26/h1-2,6-7,19,29H,3-5,8-17H2
InChIKeyAEHBUTVPVXSAES-UHFFFAOYSA-N
XLogP2.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone (CID 131696461) is 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone is O=C(CC1(O)CCC1)N1CCC2(CC1)CC(C(=O)N1CCCC1)c1ccccc12.
What is the InChIKey of 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is AEHBUTVPVXSAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-21(17-24(29)8-5-9-24)25-14-10-23(11-15-25)16-19(18-6-1-2-7-20(18)23)22(28)26-12-3-4-13-26/h1-2,6-7,19,29H,3-5,8-17H2.
What are the key properties of 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 396.53 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 131696461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).