2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide

C16H20F3N5O — CID 119920132

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCNC1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1
InChIInChI=1S/C16H20F3N5O/c1-20-11-3-2-6-24(8-11)9-14(25)21-10-4-5-12-13(7-10)23-15(22-12)16(17,18)19/h4-5,7,11,20H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyXCLFJYCXZPPKBG-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 119920132) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID119920132
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCNC1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1
InChIInChI=1S/C16H20F3N5O/c1-20-11-3-2-6-24(8-11)9-14(25)21-10-4-5-12-13(7-10)23-15(22-12)16(17,18)19/h4-5,7,11,20H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyXCLFJYCXZPPKBG-UHFFFAOYSA-N
XLogP2.20
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55731133
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120771279
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171691104
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
CID 61274236

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide (CID 119920132) is 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide is CNC1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is XCLFJYCXZPPKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-20-11-3-2-6-24(8-11)9-14(25)21-10-4-5-12-13(7-10)23-15(22-12)16(17,18)19/h4-5,7,11,20H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 119920132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).