N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide

C14H21F3N4O — CID 154873762

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
SMILESCN1CCC(CN(C)C(=O)Cc2cc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C14H21F3N4O/c1-20-5-3-10(4-6-20)9-21(2)13(22)8-11-7-12(19-18-11)14(15,16)17/h7,10H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKeyJPPXSOKDZIEZRQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide (PubChem CID 154873762) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
PubChem CID154873762
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
SMILESCN1CCC(CN(C)C(=O)Cc2cc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C14H21F3N4O/c1-20-5-3-10(4-6-20)9-21(2)13(22)8-11-7-12(19-18-11)14(15,16)17/h7,10H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKeyJPPXSOKDZIEZRQ-UHFFFAOYSA-N
XLogP1.77
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide (CID 154873762) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide is CN1CCC(CN(C)C(=O)Cc2cc(C(F)(F)F)n[nH]2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
The InChIKey is JPPXSOKDZIEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-20-5-3-10(4-6-20)9-21(2)13(22)8-11-7-12(19-18-11)14(15,16)17/h7,10H,3-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide has a molecular weight of 318.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 154873762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).