2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one

C14H20N2O — CID 79568814

IUPAC2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one
SMILESCN(CCC1CCCC1=O)Cc1ccncc1
InChIInChI=1S/C14H20N2O/c1-16(11-12-5-8-15-9-6-12)10-7-13-3-2-4-14(13)17/h5-6,8-9,13H,2-4,7,10-11H2,1H3
InChIKeyNKWQMOBMEOVVBJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one

2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one (PubChem CID 79568814) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one
PubChem CID79568814
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one
SMILESCN(CCC1CCCC1=O)Cc1ccncc1
InChIInChI=1S/C14H20N2O/c1-16(11-12-5-8-15-9-6-12)10-7-13-3-2-4-14(13)17/h5-6,8-9,13H,2-4,7,10-11H2,1H3
InChIKeyNKWQMOBMEOVVBJ-UHFFFAOYSA-N
XLogP2.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
CID 79569131
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
CID 79570863
2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
CID 60863279
2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one
CID 79568973
N-methyl-2-[methyl-[2-(2-oxocyclopentyl)ethyl]amino]acetamide
CID 79570720
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-(2-pyridin-3-ylethyl)cyclopentan-1-one
CID 79429572
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
2-[2-[methyl(propyl)amino]ethyl]cyclobutan-1-one
CID 165449059
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
2-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 82768478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one (CID 79568814) is 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one is CN(CCC1CCCC1=O)Cc1ccncc1.
What is the InChIKey of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one?
The InChIKey is NKWQMOBMEOVVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(11-12-5-8-15-9-6-12)10-7-13-3-2-4-14(13)17/h5-6,8-9,13H,2-4,7,10-11H2,1H3.
What are the key properties of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one?
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79568814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).