N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane

C12H23F3N2O — CID 142327102

IUPACN-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O.C2H6/c1-9(3-5-15(2)6-4-9)14-8(16)7-10(11,12)13;1-2/h3-7H2,1-2H3,(H,14,16);1-2H3
InChIKeyWGNNVOXDPKZGKK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.57
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane

N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane (PubChem CID 142327102) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane
PubChem CID142327102
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O.C2H6/c1-9(3-5-15(2)6-4-9)14-8(16)7-10(11,12)13;1-2/h3-7H2,1-2H3,(H,14,16);1-2H3
InChIKeyWGNNVOXDPKZGKK-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinepropionamide, N-tert-pentyl-, hydrochloride
CID 24842768
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
Tert-butyl 4-(butanoylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 132395159
2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide
CID 60707591
2,2,3,3,3-pentafluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 108094169
2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449261
2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449262
N-(4-methylpiperidin-4-yl)acetamide
CID 19694931
2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide
CID 21036994
2,2,2-trifluoro-N-(2-piperidin-4-ylpropan-2-yl)acetamide
CID 21036995
N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 21136021

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane (CID 142327102) is N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane is CC.CN1CCC(C)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane?
The InChIKey is WGNNVOXDPKZGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O.C2H6/c1-9(3-5-15(2)6-4-9)14-8(16)7-10(11,12)13;1-2/h3-7H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane?
N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane has a molecular weight of 268.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane is sourced from PubChem (CID 142327102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).