4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

C26H50N4O — CID 158127620

IUPAC4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(C)(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H28N2.C12H22N2O/c1-13(2)15-11-7-14(3,8-12-15)16-9-5-4-6-10-16;1-10(2)13-8-5-11(6-9-13)14-7-3-4-12(14)15/h13H,4-12H2,1-3H3;10-11H,3-9H2,1-2H3
InChIKeyFSJMODSUUGAEEJ-UHFFFAOYSA-N
MW434.71 g/mol
LogP4.22
Rot. Bonds4

About 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 158127620) has the molecular formula C26H50N4O and a molecular weight of 434.71 g/mol. Its IUPAC name is 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID158127620
Molecular FormulaC26H50N4O
Molecular Weight434.71 g/mol
Exact Mass434.40
IUPAC Name4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(C)(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H28N2.C12H22N2O/c1-13(2)15-11-7-14(3,8-12-15)16-9-5-4-6-10-16;1-10(2)13-8-5-11(6-9-13)14-7-3-4-12(14)15/h13H,4-12H2,1-3H3;10-11H,3-9H2,1-2H3
InChIKeyFSJMODSUUGAEEJ-UHFFFAOYSA-N
XLogP4.22
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.71
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 156829951
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 159931376
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CID 138507623
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CID 172723863
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
1-(4-acetylcyclohexyl)piperidin-2-one
CID 58664390
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980195
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
CID 161431067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 158127620) is 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is CC(C)N1CCC(C)(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is FSJMODSUUGAEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C12H22N2O/c1-13(2)15-11-7-14(3,8-12-15)16-9-5-4-6-10-16;1-10(2)13-8-5-11(6-9-13)14-7-3-4-12(14)15/h13H,4-12H2,1-3H3;10-11H,3-9H2,1-2H3.
What are the key properties of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 434.71 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 158127620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).