2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one

C16H23N3O — CID 167926790

IUPAC2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
SMILESCC1(C)CCC(N2CCN(c3ccccn3)CC2)C1=O
InChIInChI=1S/C16H23N3O/c1-16(2)7-6-13(15(16)20)18-9-11-19(12-10-18)14-5-3-4-8-17-14/h3-5,8,13H,6-7,9-12H2,1-2H3
InChIKeyCONMZZFFSYSSGT-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one

2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one (PubChem CID 167926790) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
PubChem CID167926790
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
SMILESCC1(C)CCC(N2CCN(c3ccccn3)CC2)C1=O
InChIInChI=1S/C16H23N3O/c1-16(2)7-6-13(15(16)20)18-9-11-19(12-10-18)14-5-3-4-8-17-14/h3-5,8,13H,6-7,9-12H2,1-2H3
InChIKeyCONMZZFFSYSSGT-UHFFFAOYSA-N
XLogP1.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
CID 22165594
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
(3S)-1-(3,5-dichlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1365161
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one (CID 167926790) is 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one is CC1(C)CCC(N2CCN(c3ccccn3)CC2)C1=O.
What is the InChIKey of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one?
The InChIKey is CONMZZFFSYSSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2)7-6-13(15(16)20)18-9-11-19(12-10-18)14-5-3-4-8-17-14/h3-5,8,13H,6-7,9-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one?
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one is sourced from PubChem (CID 167926790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).