N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide

C13H22F3N3O2 — CID 103110641

IUPACN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H22F3N3O2/c1-4-19(3)12(21)8(2)18-11(20)10-6-5-9(7-17-10)13(14,15)16/h8-10,17H,4-7H2,1-3H3,(H,18,20)
InChIKeyMHHDLXLRIMNFBK-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.90
Rot. Bonds4

About N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 103110641) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID103110641
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC NameN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H22F3N3O2/c1-4-19(3)12(21)8(2)18-11(20)10-6-5-9(7-17-10)13(14,15)16/h8-10,17H,4-7H2,1-3H3,(H,18,20)
InChIKeyMHHDLXLRIMNFBK-UHFFFAOYSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 103110641) is N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide is CCN(C)C(=O)C(C)NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is MHHDLXLRIMNFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-4-19(3)12(21)8(2)18-11(20)10-6-5-9(7-17-10)13(14,15)16/h8-10,17H,4-7H2,1-3H3,(H,18,20).
What are the key properties of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 103110641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).