N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H23F3N2O2 — CID 114908699

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O2/c1-2-19(9-11-4-3-7-21-11)13(20)12-6-5-10(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyRLPSZIOWLVUHIX-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.94
Rot. Bonds4

About N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908699) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908699
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O2/c1-2-19(9-11-4-3-7-21-11)13(20)12-6-5-10(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyRLPSZIOWLVUHIX-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60963860
(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61165514
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304301
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 120927935
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76904091
N-ethyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931904
N-ethyl-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 61435217
N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031722
(4R)-2-oxo-N,N-bis[[(2S)-oxolan-2-yl]methyl]imidazolidine-4-carboxamide
CID 98798751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908699) is N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CCN(CC1CCCO1)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is RLPSZIOWLVUHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-2-19(9-11-4-3-7-21-11)13(20)12-6-5-10(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).