(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one

C18H23N3O2 — CID 166417503

IUPAC(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
SMILESCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)N1)Cc1ccccc12
InChIInChI=1S/C18H23N3O2/c1-20-8-6-18(7-9-20)12-21(17(23)15-10-16(22)19-15)11-13-4-2-3-5-14(13)18/h2-5,15H,6-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyWUELBFUALNVBGB-HNNXBMFYSA-N
MW313.40 g/mol
LogP0.88
Rot. Bonds1

About (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one

(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one (PubChem CID 166417503) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
PubChem CID166417503
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
SMILESCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)N1)Cc1ccccc12
InChIInChI=1S/C18H23N3O2/c1-20-8-6-18(7-9-20)12-21(17(23)15-10-16(22)19-15)11-13-4-2-3-5-14(13)18/h2-5,15H,6-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyWUELBFUALNVBGB-HNNXBMFYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
[2-(2-hydroxyethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-pyrazolidin-3-ylmethanone
CID 134079357
1-[1'-(thian-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089524
3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
CID 167959767
1'-(8-azabicyclo[3.2.1]octan-3-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylic acid
CID 69392181
3-[2-(cyclopropanecarbonyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid;hydrochloride
CID 140559257
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
2-chloro-1-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylethanone
CID 166408836
1-[1'-[(3S,6R,7S)-7-tricyclo[4.2.0.01,3]octanyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089522
1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089803
1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 11992236
[1'-(cyclopentylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
CID 155830913

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one?
The IUPAC name of (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one (CID 166417503) is (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one is CN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)N1)Cc1ccccc12.
What is the InChIKey of (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one?
The InChIKey is WUELBFUALNVBGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-8-6-18(7-9-20)12-21(17(23)15-10-16(22)19-15)11-13-4-2-3-5-14(13)18/h2-5,15H,6-12H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one?
(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one is sourced from PubChem (CID 166417503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).