N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide

C22H31F3N2O — CID 42698280

IUPACN-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H31F3N2O/c23-22(24,25)20-11-9-18(10-12-20)17-27(16-15-26-13-5-2-6-14-26)21(28)19-7-3-1-4-8-19/h9-12,19H,1-8,13-17H2
InChIKeyKJADJNXUXPRFMT-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.10
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide

N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 42698280) has the molecular formula C22H31F3N2O and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
PubChem CID42698280
Molecular FormulaC22H31F3N2O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC NameN-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H31F3N2O/c23-22(24,25)20-11-9-18(10-12-20)17-27(16-15-26-13-5-2-6-14-26)21(28)19-7-3-1-4-8-19/h9-12,19H,1-8,13-17H2
InChIKeyKJADJNXUXPRFMT-UHFFFAOYSA-N
XLogP5.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide (CID 42698280) is N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCCCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is KJADJNXUXPRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O/c23-22(24,25)20-11-9-18(10-12-20)17-27(16-15-26-13-5-2-6-14-26)21(28)19-7-3-1-4-8-19/h9-12,19H,1-8,13-17H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 396.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42698280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).