N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

C13H22N4O — CID 36800668

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(C)CC2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-10-4-6-17(7-5-10)9-13(18)14-12-8-11(2)15-16(12)3/h8,10H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyLNYXCTJZXQIJRG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.40
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 36800668) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID36800668
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(C)CC2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-10-4-6-17(7-5-10)9-13(18)14-12-8-11(2)15-16(12)3/h8,10H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyLNYXCTJZXQIJRG-UHFFFAOYSA-N
XLogP1.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 36801870
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide
CID 99784815
N-(2,5-dimethylpyrazol-3-yl)-2-(1,4-thiazepan-4-yl)acetamide
CID 84591849
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 33019725
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 51287128

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (CID 36800668) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCC(C)CC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is LNYXCTJZXQIJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-4-6-17(7-5-10)9-13(18)14-12-8-11(2)15-16(12)3/h8,10H,4-7,9H2,1-3H3,(H,14,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 36800668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).