2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one

C23H34N2O — CID 70383681

IUPAC2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one
SMILESCC1CCCC(C)N1CCC1CCCCC1C1C=C2C=CC=CN2C1=O
InChIInChI=1S/C23H34N2O/c1-17-8-7-9-18(2)24(17)15-13-19-10-3-4-12-21(19)22-16-20-11-5-6-14-25(20)23(22)26/h5-6,11,14,16-19,21-22H,3-4,7-10,12-13,15H2,1-2H3
InChIKeyVEOREULTDINSND-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.87
Rot. Bonds4

About 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one

2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one (PubChem CID 70383681) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one.

Molecular Properties

Compound Name2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one
PubChem CID70383681
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one
SMILESCC1CCCC(C)N1CCC1CCCCC1C1C=C2C=CC=CN2C1=O
InChIInChI=1S/C23H34N2O/c1-17-8-7-9-18(2)24(17)15-13-19-10-3-4-12-21(19)22-16-20-11-5-6-14-25(20)23(22)26/h5-6,11,14,16-19,21-22H,3-4,7-10,12-13,15H2,1-2H3
InChIKeyVEOREULTDINSND-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[1-(5-methylhexan-2-yl)piperidin-4-yl]-4,5-dihydro-3H-indol-2-one
CID 68901094
2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one
CID 70384235
2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one;hydrate;hydrochloride
CID 70386364
2-Cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one
CID 70456900
2-Cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride
CID 70474377
1-(2,8-dimethyl-3,4,4a,7,8,9b-hexahydro-1H-pyrido[4,3-b]indol-5-yl)decan-1-one
CID 70887418
6,8,9-trimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
CID 89808560
6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
CID 141269165
6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
CID 141269187
1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]-3,4,5,6-tetrahydroquinolin-2-one
CID 141609682
1-(1-Acetyl-4-butyl-2,3,4,5-tetrahydroindol-5-yl)-3-(1-acetylpiperidin-4-yl)propan-1-one
CID 141921964
3-(3a,4-dihydro-1H-indol-3-yl)-1-(4-methyl-2,3,4,7,8,8a-hexahydroquinolin-1-yl)propan-1-one
CID 163480488

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one?
The IUPAC name of 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one (CID 70383681) is 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one.
What is the SMILES notation for 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one?
The canonical SMILES for 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one is CC1CCCC(C)N1CCC1CCCCC1C1C=C2C=CC=CN2C1=O.
What is the InChIKey of 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one?
The InChIKey is VEOREULTDINSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-17-8-7-9-18(2)24(17)15-13-19-10-3-4-12-21(19)22-16-20-11-5-6-14-25(20)23(22)26/h5-6,11,14,16-19,21-22H,3-4,7-10,12-13,15H2,1-2H3.
What are the key properties of 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one?
2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one has a molecular weight of 354.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one is sourced from PubChem (CID 70383681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).