2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one

C24H27N3O3 — CID 175708922

IUPAC2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
SMILESO=C1NC2(CC2CCC2CCN(Cc3ccccn3)CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C24H27N3O3/c28-23-19-11-21-22(30-15-29-21)12-20(19)24(26-23)13-17(24)5-4-16-6-9-27(10-7-16)14-18-3-1-2-8-25-18/h1-3,8,11-12,16-17H,4-7,9-10,13-15H2,(H,26,28)
InChIKeyWTHNFYBWUCSLEJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.46
Rot. Bonds5

About 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one

2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one (PubChem CID 175708922) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one.

Molecular Properties

Compound Name2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
PubChem CID175708922
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
SMILESO=C1NC2(CC2CCC2CCN(Cc3ccccn3)CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C24H27N3O3/c28-23-19-11-21-22(30-15-29-21)12-20(19)24(26-23)13-17(24)5-4-16-6-9-27(10-7-16)14-18-3-1-2-8-25-18/h1-3,8,11-12,16-17H,4-7,9-10,13-15H2,(H,26,28)
InChIKeyWTHNFYBWUCSLEJ-UHFFFAOYSA-N
XLogP3.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one with MolForge

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Related Compounds

2-methyl-6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
CID 90064699
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16669352
2-(2-chloro-2-pyridin-2-ylethyl)-6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
CID 130394674
N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 25287935
N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055313
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134791894
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 55520060
1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 45228033

Frequently Asked Questions

What is the IUPAC name of 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one?
The IUPAC name of 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one (CID 175708922) is 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one.
What is the SMILES notation for 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one?
The canonical SMILES for 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one is O=C1NC2(CC2CCC2CCN(Cc3ccccn3)CC2)c2cc3c(cc21)OCO3.
What is the InChIKey of 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one?
The InChIKey is WTHNFYBWUCSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-23-19-11-21-22(30-15-29-21)12-20(19)24(26-23)13-17(24)5-4-16-6-9-27(10-7-16)14-18-3-1-2-8-25-18/h1-3,8,11-12,16-17H,4-7,9-10,13-15H2,(H,26,28).
What are the key properties of 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one?
2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one has a molecular weight of 405.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one is sourced from PubChem (CID 175708922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).