2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one

C18H32N2O — CID 79867102

IUPAC2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
SMILESCC1(C)CCC(CN2CCC(N3CCCCC3)CC2)C1=O
InChIInChI=1S/C18H32N2O/c1-18(2)9-6-15(17(18)21)14-19-12-7-16(8-13-19)20-10-4-3-5-11-20/h15-16H,3-14H2,1-2H3
InChIKeyVTUITHVKPXUMDP-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.94
Rot. Bonds3

About 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one

2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one (PubChem CID 79867102) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
PubChem CID79867102
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
SMILESCC1(C)CCC(CN2CCC(N3CCCCC3)CC2)C1=O
InChIInChI=1S/C18H32N2O/c1-18(2)9-6-15(17(18)21)14-19-12-7-16(8-13-19)20-10-4-3-5-11-20/h15-16H,3-14H2,1-2H3
InChIKeyVTUITHVKPXUMDP-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one (CID 79867102) is 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one is CC1(C)CCC(CN2CCC(N3CCCCC3)CC2)C1=O.
What is the InChIKey of 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is VTUITHVKPXUMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(2)9-6-15(17(18)21)14-19-12-7-16(8-13-19)20-10-4-3-5-11-20/h15-16H,3-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one?
2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 292.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 79867102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).