3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one

C18H27N5O — CID 167832774

IUPAC3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one
SMILESCc1nc2ccc(NC3CCN(C(=O)CC(C)(C)C)CC3)cn2n1
InChIInChI=1S/C18H27N5O/c1-13-19-16-6-5-15(12-23(16)21-13)20-14-7-9-22(10-8-14)17(24)11-18(2,3)4/h5-6,12,14,20H,7-11H2,1-4H3
InChIKeySGSMWTDBSGNEOO-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.88
Rot. Bonds3

About 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one

3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one (PubChem CID 167832774) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one
PubChem CID167832774
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one
SMILESCc1nc2ccc(NC3CCN(C(=O)CC(C)(C)C)CC3)cn2n1
InChIInChI=1S/C18H27N5O/c1-13-19-16-6-5-15(12-23(16)21-13)20-14-7-9-22(10-8-14)17(24)11-18(2,3)4/h5-6,12,14,20H,7-11H2,1-4H3
InChIKeySGSMWTDBSGNEOO-UHFFFAOYSA-N
XLogP2.88
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 173112160
3,3-dimethyl-1-[4-[[(1R)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]butan-1-one
CID 97322867
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128707268
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
CID 108560513
4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide
CID 154787253
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 71921285
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one (CID 167832774) is 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one is Cc1nc2ccc(NC3CCN(C(=O)CC(C)(C)C)CC3)cn2n1.
What is the InChIKey of 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one?
The InChIKey is SGSMWTDBSGNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-19-16-6-5-15(12-23(16)21-13)20-14-7-9-22(10-8-14)17(24)11-18(2,3)4/h5-6,12,14,20H,7-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one has a molecular weight of 329.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 167832774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).