1-[2-(propylamino)butyl]piperidin-2-one

C12H24N2O — CID 62040592

IUPAC1-[2-(propylamino)butyl]piperidin-2-one
SMILESCCCNC(CC)CN1CCCCC1=O
InChIInChI=1S/C12H24N2O/c1-3-8-13-11(4-2)10-14-9-6-5-7-12(14)15/h11,13H,3-10H2,1-2H3
InChIKeyDTXJEQUBZMKQEH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds6

About 1-[2-(propylamino)butyl]piperidin-2-one

1-[2-(propylamino)butyl]piperidin-2-one (PubChem CID 62040592) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(propylamino)butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(propylamino)butyl]piperidin-2-one
PubChem CID62040592
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(propylamino)butyl]piperidin-2-one
SMILESCCCNC(CC)CN1CCCCC1=O
InChIInChI=1S/C12H24N2O/c1-3-8-13-11(4-2)10-14-9-6-5-7-12(14)15/h11,13H,3-10H2,1-2H3
InChIKeyDTXJEQUBZMKQEH-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-(2-ethylhexyl)azepan-2-one
CID 15001204
1-[3-methoxy-2-(propylamino)propyl]azepane-2,7-dione
CID 107506115
4-[2-(propylamino)pentyl]morpholin-3-one
CID 79467992
4,4-dimethyl-1-[2-(propylamino)butyl]piperidine-2,6-dione
CID 62933776
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800379
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)butyl]piperidin-2-one?
The IUPAC name of 1-[2-(propylamino)butyl]piperidin-2-one (CID 62040592) is 1-[2-(propylamino)butyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(propylamino)butyl]piperidin-2-one?
The canonical SMILES for 1-[2-(propylamino)butyl]piperidin-2-one is CCCNC(CC)CN1CCCCC1=O.
What is the InChIKey of 1-[2-(propylamino)butyl]piperidin-2-one?
The InChIKey is DTXJEQUBZMKQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-8-13-11(4-2)10-14-9-6-5-7-12(14)15/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[2-(propylamino)butyl]piperidin-2-one?
1-[2-(propylamino)butyl]piperidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)butyl]piperidin-2-one is sourced from PubChem (CID 62040592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).