N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H27F3N2O2 — CID 95632620

IUPACN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCO[C@H]1C[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C16H27F3N2O2/c1-4-23-13-9-12(15(13,2)3)20-14(22)11-5-7-21(8-6-11)10-16(17,18)19/h11-13H,4-10H2,1-3H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyBPIDDQHEYUMWSR-STQMWFEESA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds5

About N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 95632620) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID95632620
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC NameN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCO[C@H]1C[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C16H27F3N2O2/c1-4-23-13-9-12(15(13,2)3)20-14(22)11-5-7-21(8-6-11)10-16(17,18)19/h11-13H,4-10H2,1-3H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyBPIDDQHEYUMWSR-STQMWFEESA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 95632620) is N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCO[C@H]1C[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is BPIDDQHEYUMWSR-STQMWFEESA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-4-23-13-9-12(15(13,2)3)20-14(22)11-5-7-21(8-6-11)10-16(17,18)19/h11-13H,4-10H2,1-3H3,(H,20,22)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 95632620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).