N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C16H28N4O — CID 110226445

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCCCC2C)c(C)c1C
InChIInChI=1S/C16H28N4O/c1-12-7-5-6-9-19(12)10-8-17-16(21)11-20-15(4)13(2)14(3)18-20/h12H,5-11H2,1-4H3,(H,17,21)
InChIKeyCAOJHVDZUKBXBZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 110226445) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID110226445
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCCCC2C)c(C)c1C
InChIInChI=1S/C16H28N4O/c1-12-7-5-6-9-19(12)10-8-17-16(21)11-20-15(4)13(2)14(3)18-20/h12H,5-11H2,1-4H3,(H,17,21)
InChIKeyCAOJHVDZUKBXBZ-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 95074952
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 61242189
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
CID 139005200
2-[5,7-dimethyl-6-[(4-methylphenyl)methyl]-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 23601358
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 94115247
1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 104751125
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 20891897
ethyl 2,4-dimethyl-1-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-5-phenylpyrrole-3-carboxylate
CID 20878994
1,4-dimethyl-2-[2-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-2-oxoethyl]pyrrole-3-carboxylic acid
CID 95075944
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124696094

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 110226445) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NCCN2CCCCC2C)c(C)c1C.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is CAOJHVDZUKBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-7-5-6-9-19(12)10-8-17-16(21)11-20-15(4)13(2)14(3)18-20/h12H,5-11H2,1-4H3,(H,17,21).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 110226445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).