4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C21H27F3N2O2 — CID 109150093

IUPAC4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C21H27F3N2O2/c1-14-5-4-12-26(13-14)20(28)16-10-8-15(9-11-16)19(27)25-18-7-3-2-6-17(18)21(22,23)24/h2-3,6-7,14-16H,4-5,8-13H2,1H3,(H,25,27)
InChIKeyWUUGJPQONJGMAF-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.71
Rot. Bonds3

About 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 109150093) has the molecular formula C21H27F3N2O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID109150093
Molecular FormulaC21H27F3N2O2
Molecular Weight396.45 g/mol
Exact Mass396.20
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C21H27F3N2O2/c1-14-5-4-12-26(13-14)20(28)16-10-8-15(9-11-16)19(27)25-18-7-3-2-6-17(18)21(22,23)24/h2-3,6-7,14-16H,4-5,8-13H2,1H3,(H,25,27)
InChIKeyWUUGJPQONJGMAF-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150120

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 109150093) is 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is CC1CCCN(C(=O)C2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is WUUGJPQONJGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2/c1-14-5-4-12-26(13-14)20(28)16-10-8-15(9-11-16)19(27)25-18-7-3-2-6-17(18)21(22,23)24/h2-3,6-7,14-16H,4-5,8-13H2,1H3,(H,25,27).
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109150093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).