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

C27H52N4O — CID 159964638

IUPAC4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(C)(N2CCCC2=O)CC1.CC(C)N1CCC(C)(N2CCCCC2)CC1
InChIInChI=1S/C14H28N2.C13H24N2O/c1-13(2)15-11-7-14(3,8-12-15)16-9-5-4-6-10-16;1-11(2)14-9-6-13(3,7-10-14)15-8-4-5-12(15)16/h13H,4-12H2,1-3H3;11H,4-10H2,1-3H3
InChIKeyODTSLBISJDJRFB-UHFFFAOYSA-N
MW448.74 g/mol
LogP4.61
Rot. Bonds4

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

4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 159964638) has the molecular formula C27H52N4O and a molecular weight of 448.74 g/mol. Its IUPAC name is 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID159964638
Molecular FormulaC27H52N4O
Molecular Weight448.74 g/mol
Exact Mass448.41
IUPAC Name4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(C)(N2CCCC2=O)CC1.CC(C)N1CCC(C)(N2CCCCC2)CC1
InChIInChI=1S/C14H28N2.C13H24N2O/c1-13(2)15-11-7-14(3,8-12-15)16-9-5-4-6-10-16;1-11(2)14-9-6-13(3,7-10-14)15-8-4-5-12(15)16/h13H,4-12H2,1-3H3;11H,4-10H2,1-3H3
InChIKeyODTSLBISJDJRFB-UHFFFAOYSA-N
XLogP4.61
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
8-(1-Butyrylpiperidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 56715499
1,9-Dimethyl-4-(3-pyrrolidin-1-ylpropanoyl)-1,4,9-triazaspiro[5.5]undecane
CID 56740413
(1-Propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 20813674
(1-Methylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 70298433
(1-Tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 118531400
[4-(Diethylamino)piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 142350034
1-[4-[2-Methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one
CID 146180703
(1-Tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 146256270
(1-Tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 146256278
9-Ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;propane
CID 155739968

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 159964638) is 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-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-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is CC(C)N1CCC(C)(N2CCCC2=O)CC1.CC(C)N1CCC(C)(N2CCCCC2)CC1.
What is the InChIKey of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is ODTSLBISJDJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H24N2O/c1-13(2)15-11-7-14(3,8-12-15)16-9-5-4-6-10-16;1-11(2)14-9-6-13(3,7-10-14)15-8-4-5-12(15)16/h13H,4-12H2,1-3H3;11H,4-10H2,1-3H3.
What are the key properties of 4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 448.74 g/mol, XLogP of 4.61, 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-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 159964638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).