N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H24F3N3O2 — CID 56814163

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H24F3N3O2/c16-15(17,18)11-3-1-2-10(8-11)14(23)20-12-4-6-21(7-5-12)9-13(19)22/h10-12H,1-9H2,(H2,19,22)(H,20,23)
InChIKeyGKNGZVCGKQOPRY-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.42
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 56814163) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID56814163
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H24F3N3O2/c16-15(17,18)11-3-1-2-10(8-11)14(23)20-12-4-6-21(7-5-12)9-13(19)22/h10-12H,1-9H2,(H2,19,22)(H,20,23)
InChIKeyGKNGZVCGKQOPRY-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 56814163) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)CN1CCC(NC(=O)C2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is GKNGZVCGKQOPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c16-15(17,18)11-3-1-2-10(8-11)14(23)20-12-4-6-21(7-5-12)9-13(19)22/h10-12H,1-9H2,(H2,19,22)(H,20,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 56814163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).