2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

C15H25ClN4O2 — CID 120891766

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCC1(CNC(=O)Cn2nc(C)c(Cl)c2C)CCNCC1
InChIInChI=1S/C15H25ClN4O2/c1-11-14(16)12(2)20(19-11)8-13(21)18-9-15(10-22-3)4-6-17-7-5-15/h17H,4-10H2,1-3H3,(H,18,21)
InChIKeyCOJAWGNWVBUTGC-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.29
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 120891766) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
PubChem CID120891766
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCC1(CNC(=O)Cn2nc(C)c(Cl)c2C)CCNCC1
InChIInChI=1S/C15H25ClN4O2/c1-11-14(16)12(2)20(19-11)8-13(21)18-9-15(10-22-3)4-6-17-7-5-15/h17H,4-10H2,1-3H3,(H,18,21)
InChIKeyCOJAWGNWVBUTGC-UHFFFAOYSA-N
XLogP1.29
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138000422
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892091
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890802
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891385
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 120888857
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120890222
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 120889785
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 120896611
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (CID 120891766) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is COCC1(CNC(=O)Cn2nc(C)c(Cl)c2C)CCNCC1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is COJAWGNWVBUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2/c1-11-14(16)12(2)20(19-11)8-13(21)18-9-15(10-22-3)4-6-17-7-5-15/h17H,4-10H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 328.84 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 120891766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).