N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide

C19H29FN4O2 — CID 166374115

IUPACN-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide
SMILESCC1(NC(=O)Cc2cn[nH]c2)CCCN(C(=O)C(F)C2CCCCC2)C1
InChIInChI=1S/C19H29FN4O2/c1-19(23-16(25)10-14-11-21-22-12-14)8-5-9-24(13-19)18(26)17(20)15-6-3-2-4-7-15/h11-12,15,17H,2-10,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyLZXINLZNAGGHJH-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.37
Rot. Bonds5

About N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide

N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide (PubChem CID 166374115) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide
PubChem CID166374115
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide
SMILESCC1(NC(=O)Cc2cn[nH]c2)CCCN(C(=O)C(F)C2CCCCC2)C1
InChIInChI=1S/C19H29FN4O2/c1-19(23-16(25)10-14-11-21-22-12-14)8-5-9-24(13-19)18(26)17(20)15-6-3-2-4-7-15/h11-12,15,17H,2-10,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyLZXINLZNAGGHJH-UHFFFAOYSA-N
XLogP2.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
1-[3-(1H-Pyrazol-4-YL)piperidin-1-YL]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 86787382
1-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 97877502
1-[(3R)-3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 97877503
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856220
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834427
3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114226475
2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide
CID 166374177

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide (CID 166374115) is N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide is CC1(NC(=O)Cc2cn[nH]c2)CCCN(C(=O)C(F)C2CCCCC2)C1.
What is the InChIKey of N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide?
The InChIKey is LZXINLZNAGGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-19(23-16(25)10-14-11-21-22-12-14)8-5-9-24(13-19)18(26)17(20)15-6-3-2-4-7-15/h11-12,15,17H,2-10,13H2,1H3,(H,21,22)(H,23,25).
What are the key properties of N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide?
N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexyl-2-fluoroacetyl)-3-methylpiperidin-3-yl]-2-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 166374115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).