6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H29N5O3 — CID 162630968

IUPAC6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOC1(CN(C)C)CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC1
InChIInChI=1S/C17H29N5O3/c1-19(2)12-17(25-4)7-9-21(10-8-17)15(23)13-5-6-14-18-20(3)16(24)22(14)11-13/h13H,5-12H2,1-4H3
InChIKeyJLJPZQFVQYJXPS-UHFFFAOYSA-N
MW351.45 g/mol
LogP-0.29
Rot. Bonds4

About 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 162630968) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID162630968
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOC1(CN(C)C)CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC1
InChIInChI=1S/C17H29N5O3/c1-19(2)12-17(25-4)7-9-21(10-8-17)15(23)13-5-6-14-18-20(3)16(24)22(14)11-13/h13H,5-12H2,1-4H3
InChIKeyJLJPZQFVQYJXPS-UHFFFAOYSA-N
XLogP-0.29
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56702812
5-{[4-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}-1-(2-methoxyethyl)piperidin-2-one
CID 56720530
2-Methyl-6-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56873416
2-methyl-6-(6-oxa-9-azaspiro[4.5]dec-9-ylcarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91782647
(5R)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 95226392
(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 95226393
(6S)-2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100091224
(6R)-2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100091227

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 162630968) is 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is COC1(CN(C)C)CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JLJPZQFVQYJXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-19(2)12-17(25-4)7-9-21(10-8-17)15(23)13-5-6-14-18-20(3)16(24)22(14)11-13/h13H,5-12H2,1-4H3.
What are the key properties of 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 351.45 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 162630968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).