5-(pyridin-4-ylmethylamino)piperidin-2-one

C11H15N3O — CID 63378640

IUPAC5-(pyridin-4-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2ccncc2)CN1
InChIInChI=1S/C11H15N3O/c15-11-2-1-10(8-14-11)13-7-9-3-5-12-6-4-9/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKeyWLFKDCKNANKXEE-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.45
Rot. Bonds3

About 5-(pyridin-4-ylmethylamino)piperidin-2-one

5-(pyridin-4-ylmethylamino)piperidin-2-one (PubChem CID 63378640) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylamino)piperidin-2-one
PubChem CID63378640
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(pyridin-4-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2ccncc2)CN1
InChIInChI=1S/C11H15N3O/c15-11-2-1-10(8-14-11)13-7-9-3-5-12-6-4-9/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKeyWLFKDCKNANKXEE-UHFFFAOYSA-N
XLogP0.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one
CID 73262487
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 118739297
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848
5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one
CID 130986202
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one
CID 112582371
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylamino)piperidin-2-one?
The IUPAC name of 5-(pyridin-4-ylmethylamino)piperidin-2-one (CID 63378640) is 5-(pyridin-4-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 5-(pyridin-4-ylmethylamino)piperidin-2-one?
The canonical SMILES for 5-(pyridin-4-ylmethylamino)piperidin-2-one is O=C1CCC(NCc2ccncc2)CN1.
What is the InChIKey of 5-(pyridin-4-ylmethylamino)piperidin-2-one?
The InChIKey is WLFKDCKNANKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-2-1-10(8-14-11)13-7-9-3-5-12-6-4-9/h3-6,10,13H,1-2,7-8H2,(H,14,15).
What are the key properties of 5-(pyridin-4-ylmethylamino)piperidin-2-one?
5-(pyridin-4-ylmethylamino)piperidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 63378640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).