2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C17H29N3O — CID 56895631

IUPAC2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCCCC2CCN(C)C)c(C)c1=O
InChIInChI=1S/C17H29N3O/c1-13-11-18-16(14(2)17(13)21)12-20-9-6-5-7-15(20)8-10-19(3)4/h11,15H,5-10,12H2,1-4H3,(H,18,21)
InChIKeyBMYKYBRGANKVAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.30
Rot. Bonds5

About 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 56895631) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID56895631
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCCCC2CCN(C)C)c(C)c1=O
InChIInChI=1S/C17H29N3O/c1-13-11-18-16(14(2)17(13)21)12-20-9-6-5-7-15(20)8-10-19(3)4/h11,15H,5-10,12H2,1-4H3,(H,18,21)
InChIKeyBMYKYBRGANKVAW-UHFFFAOYSA-N
XLogP2.30
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 56895631) is 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN2CCCCC2CCN(C)C)c(C)c1=O.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is BMYKYBRGANKVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-11-18-16(14(2)17(13)21)12-20-9-6-5-7-15(20)8-10-19(3)4/h11,15H,5-10,12H2,1-4H3,(H,18,21).
What are the key properties of 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 291.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 56895631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).