1-(1-piperidin-1-ylcyclopentyl)butan-1-one

C14H25NO — CID 79059234

IUPAC1-(1-piperidin-1-ylcyclopentyl)butan-1-one
SMILESCCCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2-12H2,1H3
InChIKeyLMEZZPUCBVRQBN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.15
Rot. Bonds4

About 1-(1-piperidin-1-ylcyclopentyl)butan-1-one

1-(1-piperidin-1-ylcyclopentyl)butan-1-one (PubChem CID 79059234) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)butan-1-one.

Molecular Properties

Compound Name1-(1-piperidin-1-ylcyclopentyl)butan-1-one
PubChem CID79059234
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-piperidin-1-ylcyclopentyl)butan-1-one
SMILESCCCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2-12H2,1H3
InChIKeyLMEZZPUCBVRQBN-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)butan-1-one?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)butan-1-one (CID 79059234) is 1-(1-piperidin-1-ylcyclopentyl)butan-1-one.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)butan-1-one?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)butan-1-one is CCCC(=O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)butan-1-one?
The InChIKey is LMEZZPUCBVRQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2-12H2,1H3.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)butan-1-one?
1-(1-piperidin-1-ylcyclopentyl)butan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylcyclopentyl)butan-1-one is sourced from PubChem (CID 79059234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).