3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one

C14H28N2O — CID 104680008

IUPAC3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one
SMILESCCCNC(CCC)CN1CCCC(C)C1=O
InChIInChI=1S/C14H28N2O/c1-4-7-13(15-9-5-2)11-16-10-6-8-12(3)14(16)17/h12-13,15H,4-11H2,1-3H3
InChIKeyYIMQDTKNRYOIRE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds7

About 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one

3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one (PubChem CID 104680008) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one
PubChem CID104680008
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one
SMILESCCCNC(CCC)CN1CCCC(C)C1=O
InChIInChI=1S/C14H28N2O/c1-4-7-13(15-9-5-2)11-16-10-6-8-12(3)14(16)17/h12-13,15H,4-11H2,1-3H3
InChIKeyYIMQDTKNRYOIRE-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
CID 104679909
2-[2-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513376
4-methyl-1-[2-(propylamino)pentyl]piperidine-2,6-dione
CID 79506645
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044
1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
4-[2-(propylamino)pentyl]morpholin-3-one
CID 79467992
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79938912
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
1-(3,5-dimethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 62042262

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one?
The IUPAC name of 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one (CID 104680008) is 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one?
The canonical SMILES for 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one is CCCNC(CCC)CN1CCCC(C)C1=O.
What is the InChIKey of 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one?
The InChIKey is YIMQDTKNRYOIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-13(15-9-5-2)11-16-10-6-8-12(3)14(16)17/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one?
3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one is sourced from PubChem (CID 104680008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).