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

C16H27ClF2N4O2 — CID 120890802

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)Cc2c(C)nn(C(F)F)c2C)CCNCC1.Cl
InChIInChI=1S/C16H26F2N4O2.ClH/c1-11-13(12(2)22(21-11)15(17)18)8-14(23)20-9-16(10-24-3)4-6-19-7-5-16;/h15,19H,4-10H2,1-3H3,(H,20,23);1H
InChIKeySVMJDSGFCVWHJX-UHFFFAOYSA-N
MW380.87 g/mol
LogP1.99
Rot. Bonds7

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120890802) has the molecular formula C16H27ClF2N4O2 and a molecular weight of 380.87 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID120890802
Molecular FormulaC16H27ClF2N4O2
Molecular Weight380.87 g/mol
Exact Mass380.18
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)Cc2c(C)nn(C(F)F)c2C)CCNCC1.Cl
InChIInChI=1S/C16H26F2N4O2.ClH/c1-11-13(12(2)22(21-11)15(17)18)8-14(23)20-9-16(10-24-3)4-6-19-7-5-16;/h15,19H,4-10H2,1-3H3,(H,20,23);1H
InChIKeySVMJDSGFCVWHJX-UHFFFAOYSA-N
XLogP1.99
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120891766
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120891417
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-2-ylmethyl)acetamide;hydrochloride
CID 86813758
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138000422
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120890222
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (CID 120890802) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is COCC1(CNC(=O)Cc2c(C)nn(C(F)F)c2C)CCNCC1.Cl.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is SVMJDSGFCVWHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O2.ClH/c1-11-13(12(2)22(21-11)15(17)18)8-14(23)20-9-16(10-24-3)4-6-19-7-5-16;/h15,19H,4-10H2,1-3H3,(H,20,23);1H.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120890802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).