1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one

C16H31N3O — CID 103778451

IUPAC1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCC(C)CN1CCC(NC(C)CN2CCCC2=O)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)11-18-9-6-15(7-10-18)17-14(3)12-19-8-4-5-16(19)20/h13-15,17H,4-12H2,1-3H3
InChIKeyRDMYGAWMUPLMIH-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds6

About 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 103778451) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID103778451
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCC(C)CN1CCC(NC(C)CN2CCCC2=O)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)11-18-9-6-15(7-10-18)17-14(3)12-19-8-4-5-16(19)20/h13-15,17H,4-12H2,1-3H3
InChIKeyRDMYGAWMUPLMIH-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
1-(Piperidin-4-yl)pyrrolidin-2-one
CID 18314250
2,5-Diazabicyclo[2.2.1]heptan-2-yl(cyclopropyl)methanone
CID 77430458
1-(1-Methylpyrrolidine-2-carbonyl)piperazine
CID 19704824
2-methyl-N-(piperidin-3-yl)propanamide
CID 20118171
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylbutan-1-one
CID 44433951
2-(2-methyl-5-oxo-1-pyrrolidinyl)-N-[2-(1-piperidinyl)propyl]acetamide
CID 21327783
N-[2-Methyl-2-(piperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374414
cis-N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-2-oxo-1-pyrrolidineacetamide
CID 44374502
N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-2-(2-methyl-5-oxo-1-pyrrolidinyl)acetamide
CID 44374529
2-Isopropyl-2,8-diazaspiro[4.5]decan-1-one
CID 45074064

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 103778451) is 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one is CC(C)CN1CCC(NC(C)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is RDMYGAWMUPLMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)11-18-9-6-15(7-10-18)17-14(3)12-19-8-4-5-16(19)20/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 281.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 103778451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).