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

C25H29N3O3 — CID 90064699

IUPAC2-methyl-6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
SMILESCC1Oc2cc3c(cc2O1)C1(CC1)N(CCC1CCN(Cc2ccccn2)CC1)C3=O
InChIInChI=1S/C25H29N3O3/c1-17-30-22-14-20-21(15-23(22)31-17)25(8-9-25)28(24(20)29)13-7-18-5-11-27(12-6-18)16-19-4-2-3-10-26-19/h2-4,10,14-15,17-18H,5-9,11-13,16H2,1H3
InChIKeyNHTVJUMTPRLFIG-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.95
Rot. Bonds5

About 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

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 (PubChem CID 90064699) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
PubChem CID90064699
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-methyl-6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
SMILESCC1Oc2cc3c(cc2O1)C1(CC1)N(CCC1CCN(Cc2ccccn2)CC1)C3=O
InChIInChI=1S/C25H29N3O3/c1-17-30-22-14-20-21(15-23(22)31-17)25(8-9-25)28(24(20)29)13-7-18-5-11-27(12-6-18)16-19-4-2-3-10-26-19/h2-4,10,14-15,17-18H,5-9,11-13,16H2,1H3
InChIKeyNHTVJUMTPRLFIG-UHFFFAOYSA-N
XLogP3.95
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
(3aR,7aR)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92764794
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
(3R)-3-methyl-1'-(pyridin-2-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-4-one
CID 133073530
2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
CID 126771656
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565515

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1Oc2cc3c(cc2O1)C1(CC1)N(CCC1CCN(Cc2ccccn2)CC1)C3=O.
What is the InChIKey of 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?
The InChIKey is NHTVJUMTPRLFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-30-22-14-20-21(15-23(22)31-17)25(8-9-25)28(24(20)29)13-7-18-5-11-27(12-6-18)16-19-4-2-3-10-26-19/h2-4,10,14-15,17-18H,5-9,11-13,16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 419.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90064699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).