2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide

C16H28N4O — CID 95220651

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(C)C)C2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)19-7-5-6-15(10-19)9-17-16(21)11-20-14(4)8-13(3)18-20/h8,12,15H,5-7,9-11H2,1-4H3,(H,17,21)/t15-/m1/s1
InChIKeyOTGSOTUQPHBTMR-OAHLLOKOSA-N
MW292.43 g/mol
LogP1.74
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (PubChem CID 95220651) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
PubChem CID95220651
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(C)C)C2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)19-7-5-6-15(10-19)9-17-16(21)11-20-14(4)8-13(3)18-20/h8,12,15H,5-7,9-11H2,1-4H3,(H,17,21)/t15-/m1/s1
InChIKeyOTGSOTUQPHBTMR-OAHLLOKOSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 51595414
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 51498344
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 155950546
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52515411
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 51128222

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (CID 95220651) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is Cc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(C)C)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The InChIKey is OTGSOTUQPHBTMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)19-7-5-6-15(10-19)9-17-16(21)11-20-14(4)8-13(3)18-20/h8,12,15H,5-7,9-11H2,1-4H3,(H,17,21)/t15-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95220651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).