1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one

C12H20N2O — CID 14489646

IUPAC1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one
SMILESCN1C(=O)CC=CC1CN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-13-11(6-5-7-12(13)15)10-14-8-3-2-4-9-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyUGOMMBVNCNPCPD-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.26
Rot. Bonds2

About 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one

1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one (PubChem CID 14489646) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one
PubChem CID14489646
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one
SMILESCN1C(=O)CC=CC1CN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-13-11(6-5-7-12(13)15)10-14-8-3-2-4-9-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyUGOMMBVNCNPCPD-UHFFFAOYSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one?
The IUPAC name of 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one (CID 14489646) is 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one.
What is the SMILES notation for 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one?
The canonical SMILES for 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one is CN1C(=O)CC=CC1CN1CCCCC1.
What is the InChIKey of 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one?
The InChIKey is UGOMMBVNCNPCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-11(6-5-7-12(13)15)10-14-8-3-2-4-9-14/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one?
1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one has a molecular weight of 208.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 14489646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).