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

C16H28N4O — CID 166224937

IUPAC2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)CC1CCN(C)CC1
InChIInChI=1S/C16H28N4O/c1-11(16-12(2)18-20(5)13(16)3)17-15(21)10-14-6-8-19(4)9-7-14/h11,14H,6-10H2,1-5H3,(H,17,21)
InChIKeyCVJFMLFXRXDLFM-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.95
Rot. Bonds4

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

2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 166224937) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID166224937
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)CC1CCN(C)CC1
InChIInChI=1S/C16H28N4O/c1-11(16-12(2)18-20(5)13(16)3)17-15(21)10-14-6-8-19(4)9-7-14/h11,14H,6-10H2,1-5H3,(H,17,21)
InChIKeyCVJFMLFXRXDLFM-UHFFFAOYSA-N
XLogP1.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 125163348
1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95293835
4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine
CID 83010272
2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 118783624
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95191686
2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 95623237
1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032727
1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 98756215
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 45212497
2-(1-methylpiperidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110754699

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 166224937) is 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1C(C)NC(=O)CC1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is CVJFMLFXRXDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(16-12(2)18-20(5)13(16)3)17-15(21)10-14-6-8-19(4)9-7-14/h11,14H,6-10H2,1-5H3,(H,17,21).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 166224937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).