2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone

C17H32N2O — CID 114506917

IUPAC2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CC2CCCC2)CC1CC
InChIInChI=1S/C17H32N2O/c1-3-10-18-16-9-11-19(13-15(16)4-2)17(20)12-14-7-5-6-8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyRRFKKFSOHVEGNC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds6

About 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone (PubChem CID 114506917) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
PubChem CID114506917
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CC2CCCC2)CC1CC
InChIInChI=1S/C17H32N2O/c1-3-10-18-16-9-11-19(13-15(16)4-2)17(20)12-14-7-5-6-8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyRRFKKFSOHVEGNC-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone (CID 114506917) is 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone is CCCNC1CCN(C(=O)CC2CCCC2)CC1CC.
What is the InChIKey of 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone?
The InChIKey is RRFKKFSOHVEGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-10-18-16-9-11-19(13-15(16)4-2)17(20)12-14-7-5-6-8-14/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 114506917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).