1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C24H35N3O2 — CID 30897571

IUPAC1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C24H35N3O2/c28-21-6-3-14-26(21)15-7-18-8-16-27(17-9-18)22-19-4-1-2-5-20(19)24(23(22)29)10-12-25-13-11-24/h1-2,4-5,18,22-23,25,29H,3,6-17H2/t22-,23+/m1/s1
InChIKeyZERINZKLNVCYPH-PKTZIBPZSA-N
MW397.56 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 30897571) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID30897571
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C24H35N3O2/c28-21-6-3-14-26(21)15-7-18-8-16-27(17-9-18)22-19-4-1-2-5-20(19)24(23(22)29)10-12-25-13-11-24/h1-2,4-5,18,22-23,25,29H,3,6-17H2/t22-,23+/m1/s1
InChIKeyZERINZKLNVCYPH-PKTZIBPZSA-N
XLogP2.45
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 30897571) is 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1.
What is the InChIKey of 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ZERINZKLNVCYPH-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-21-6-3-14-26(21)15-7-18-8-16-27(17-9-18)22-19-4-1-2-5-20(19)24(23(22)29)10-12-25-13-11-24/h1-2,4-5,18,22-23,25,29H,3,6-17H2/t22-,23+/m1/s1.
What are the key properties of 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 397.56 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 30897571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).