N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H25F3N2O2 — CID 106739390

IUPACN-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1CCNC(C)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-21-8-4-7-19(10-14(15,16)17)13(20)12-5-6-18-11(2)9-12/h11-12,18H,3-10H2,1-2H3
InChIKeySDFSVCLROQXEDU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

About N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 106739390) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID106739390
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1CCNC(C)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-21-8-4-7-19(10-14(15,16)17)13(20)12-5-6-18-11(2)9-12/h11-12,18H,3-10H2,1-2H3
InChIKeySDFSVCLROQXEDU-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-2-(trifluoromethyl)piperidine-4-carboxamide
CID 118902443
1-methyl-N-(1,1,1-trifluoropropan-2-yl)piperidine-4-carboxamide
CID 124199656
1-isopropyl-N-(2,2,2-trifluoro-1-methylethyl)piperidine-4-carboxamide
CID 126759767
1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 126759772
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 126759836
1-propan-2-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 135177474
1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 167064455
2-Methylpropyl 3,3-difluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 168164769
2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
CID 174339054
1-(cyclopropanecarbonyl)-N-methyl-2-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 175947871
N,1-dimethyl-2-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 175947882
2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 43603357

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 106739390) is N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1CCNC(C)C1.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is SDFSVCLROQXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-21-8-4-7-19(10-14(15,16)17)13(20)12-5-6-18-11(2)9-12/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 106739390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).