3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one

C14H25NO — CID 896472

IUPAC3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C14H25NO/c1-12-8-10-15(11-9-12)14(16)7-6-13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyIMCTYDGIARSRHI-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds3

About 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one

3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 896472) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID896472
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C14H25NO/c1-12-8-10-15(11-9-12)14(16)7-6-13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyIMCTYDGIARSRHI-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one (CID 896472) is 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is IMCTYDGIARSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-8-10-15(11-9-12)14(16)7-6-13-4-2-3-5-13/h12-13H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 896472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).