1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one

C20H29N3O2 — CID 56909026

IUPAC1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C20H29N3O2/c24-18-15-16-3-1-2-4-17(16)20(18)6-11-23(12-7-20)19(25)5-10-22-13-8-21-9-14-22/h1-4,18,21,24H,5-15H2
InChIKeyLSVYJJAMYZOHLC-UHFFFAOYSA-N
MW343.47 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one

1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 56909026) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID56909026
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C20H29N3O2/c24-18-15-16-3-1-2-4-17(16)20(18)6-11-23(12-7-20)19(25)5-10-22-13-8-21-9-14-22/h1-4,18,21,24H,5-15H2
InChIKeyLSVYJJAMYZOHLC-UHFFFAOYSA-N
XLogP0.76
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 11633324
(2R)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 44406907
N-{2-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-2-oxoethyl}-2-methylpropanamide
CID 56892723
N-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-oxoethyl]urea
CID 56917337
3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 95724033
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97281997
1-butyl-4-[rel-(2R,3R)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-piperazinone bis(trifluoroacetate) (salt)
CID 30936612
(2S)-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 10868384
2,3-Dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 18673581
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate
CID 118385571
N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 159702561
rel-(2R,3R)-3-[4-(3-methylbutanoyl)-1-piperazinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 29025224

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one (CID 56909026) is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one is O=C(CCN1CCNCC1)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is LSVYJJAMYZOHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-18-15-16-3-1-2-4-17(16)20(18)6-11-23(12-7-20)19(25)5-10-22-13-8-21-9-14-22/h1-4,18,21,24H,5-15H2.
What are the key properties of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one?
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 343.47 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 56909026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).