1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one

C18H33NO — CID 19099559

IUPAC1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one
SMILESCC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C18H33NO/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16/h14-16,19H,4-13H2,1-3H3
InChIKeyBBKHNKKXGGZJPC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.33
Rot. Bonds6

About 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one

1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one (PubChem CID 19099559) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one
PubChem CID19099559
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one
SMILESCC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C18H33NO/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16/h14-16,19H,4-13H2,1-3H3
InChIKeyBBKHNKKXGGZJPC-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
The IUPAC name of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one (CID 19099559) is 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one.
What is the SMILES notation for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
The canonical SMILES for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one is CC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
The InChIKey is BBKHNKKXGGZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one has a molecular weight of 279.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one is sourced from PubChem (CID 19099559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).