[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone

C19H28N4O2 — CID 134079357

IUPAC[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone
SMILESO=C(C1CCNN1)N1CCC2(CC1)CN(CCO)Cc1ccccc12
InChIInChI=1S/C19H28N4O2/c24-12-11-22-13-15-3-1-2-4-16(15)19(14-22)6-9-23(10-7-19)18(25)17-5-8-20-21-17/h1-4,17,20-21,24H,5-14H2
InChIKeyHVZVDIVGINESJX-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.22
Rot. Bonds3

About [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone

[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone (PubChem CID 134079357) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone
PubChem CID134079357
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone
SMILESO=C(C1CCNN1)N1CCC2(CC1)CN(CCO)Cc1ccccc12
InChIInChI=1S/C19H28N4O2/c24-12-11-22-13-15-3-1-2-4-16(15)19(14-22)6-9-23(10-7-19)18(25)17-5-8-20-21-17/h1-4,17,20-21,24H,5-14H2
InChIKeyHVZVDIVGINESJX-UHFFFAOYSA-N
XLogP0.22
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503
2-spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-ylacetamide;hydrochloride
CID 155857534
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079358
1'-(8-azabicyclo[3.2.1]octan-3-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylic acid
CID 69392181
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
2-chloro-1-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylethanone
CID 166408836
2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol
CID 171522905
[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
CID 154924091
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
1-[1'-(thian-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089524
7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 134073213

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone?
The IUPAC name of [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone (CID 134079357) is [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone.
What is the SMILES notation for [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone?
The canonical SMILES for [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone is O=C(C1CCNN1)N1CCC2(CC1)CN(CCO)Cc1ccccc12.
What is the InChIKey of [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone?
The InChIKey is HVZVDIVGINESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-12-11-22-13-15-3-1-2-4-16(15)19(14-22)6-9-23(10-7-19)18(25)17-5-8-20-21-17/h1-4,17,20-21,24H,5-14H2.
What are the key properties of [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone?
[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone is sourced from PubChem (CID 134079357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).