N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide

C14H23F3N4O2 — CID 86245713

IUPACN-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CN(C2CCNCC2)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N4O2/c1-2-19-12(22)11-9-20(10-3-5-18-6-4-10)7-8-21(11)13(23)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,22)
InChIKeyPCYQLCHEGLSADN-UHFFFAOYSA-N
MW336.36 g/mol
LogP-0.05
Rot. Bonds3

About N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide

N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide (PubChem CID 86245713) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
PubChem CID86245713
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC NameN-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CN(C2CCNCC2)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N4O2/c1-2-19-12(22)11-9-20(10-3-5-18-6-4-10)7-8-21(11)13(23)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,22)
InChIKeyPCYQLCHEGLSADN-UHFFFAOYSA-N
XLogP-0.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
4-(4-Aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789941
4-Acetyl-1-piperidin-4-ylpiperazin-2-one
CID 134790151
N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide
CID 134790481
3-Methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 53543669
N-methyl-2-(3-oxo-1-piperidin-4-ylpiperazin-2-yl)acetamide
CID 56711685
3-(Piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75450947
1-[2-[(3S)-3-(methylamino)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 124587974
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
CID 21059953

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide (CID 86245713) is N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide is CCNC(=O)C1CN(C2CCNCC2)CCN1C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The InChIKey is PCYQLCHEGLSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2/c1-2-19-12(22)11-9-20(10-3-5-18-6-4-10)7-8-21(11)13(23)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,22).
What are the key properties of N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide has a molecular weight of 336.36 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 86245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).