cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone

C25H31N3O3 — CID 134789820

IUPACcyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC2(Cc3ccccc3CN2C(=O)C2CCCC2)C1
InChIInChI=1S/C25H31N3O3/c1-17-22(18(2)31-26-17)24(30)27-13-7-12-25(16-27)14-20-10-5-6-11-21(20)15-28(25)23(29)19-8-3-4-9-19/h5-6,10-11,19H,3-4,7-9,12-16H2,1-2H3
InChIKeyQVYGFCHWLBNZFS-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.04
Rot. Bonds2

About cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone

cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone (PubChem CID 134789820) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone
PubChem CID134789820
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Namecyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC2(Cc3ccccc3CN2C(=O)C2CCCC2)C1
InChIInChI=1S/C25H31N3O3/c1-17-22(18(2)31-26-17)24(30)27-13-7-12-25(16-27)14-20-10-5-6-11-21(20)15-28(25)23(29)19-8-3-4-9-19/h5-6,10-11,19H,3-4,7-9,12-16H2,1-2H3
InChIKeyQVYGFCHWLBNZFS-UHFFFAOYSA-N
XLogP4.04
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233338
2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
CID 134787447
[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633071
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
(3R)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92605253
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233137
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131679299
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124981066

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone?
The IUPAC name of cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone (CID 134789820) is cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone?
The canonical SMILES for cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC2(Cc3ccccc3CN2C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone?
The InChIKey is QVYGFCHWLBNZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-22(18(2)31-26-17)24(30)27-13-7-12-25(16-27)14-20-10-5-6-11-21(20)15-28(25)23(29)19-8-3-4-9-19/h5-6,10-11,19H,3-4,7-9,12-16H2,1-2H3.
What are the key properties of cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone?
cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone has a molecular weight of 421.54 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone is sourced from PubChem (CID 134789820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).