ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C11H21F3N2O — CID 144507520

IUPACethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC.CC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O.C2H6/c1-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12;1-2/h7H,2-6H2,1H3,(H,13,15);1-2H3
InChIKeyWVPDLKUIILGVAW-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.02
Rot. Bonds1

About ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 144507520) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID144507520
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Nameethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC.CC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O.C2H6/c1-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12;1-2/h7H,2-6H2,1H3,(H,13,15);1-2H3
InChIKeyWVPDLKUIILGVAW-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
N-(2-methylpropyl)piperidine-1-carboxamide
CID 57968838
1-Cyclopropyl-1-(3-methylpentan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 53596548
(3S)-4,4-difluoro-N,N,3-trimethylpiperidine-1-carboxamide
CID 124292077

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 144507520) is ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC.CC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is WVPDLKUIILGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.C2H6/c1-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12;1-2/h7H,2-6H2,1H3,(H,13,15);1-2H3.
What are the key properties of ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 254.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 144507520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).