4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C9H15F3N2O2 — CID 115576305

IUPAC4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-16-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyRXGNOZZFTPJCDB-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds2

About 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115576305) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115576305
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-16-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyRXGNOZZFTPJCDB-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
N-ethyl-4-methoxypiperidine-1-carboxamide
CID 53016480
4-methoxy-N-(propan-2-yl)piperidine-1-carboxamide
CID 53016501
N-methyl-4-propoxypiperidine-1-carboxamide
CID 53016459
N-butan-2-yl-4-methoxypiperidine-1-carboxamide
CID 53016512
2-amino-2-(aminomethylamino)-1-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265363
4-(Difluoromethoxy)piperidine-1-carboxamide
CID 130708067
N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide
CID 174247751
(2-Aminopiperidin-1-yl)-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 176131456
N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide
CID 23238705
4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99773484
(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 103931434

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115576305) is 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is COC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is RXGNOZZFTPJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-16-7-2-4-14(5-3-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115576305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).