3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H23F3N2O — CID 63131759

IUPAC3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)N(CC(F)(F)F)C(C)C)CCCNC1
InChIInChI=1S/C13H23F3N2O/c1-4-12(6-5-7-17-8-12)11(19)18(10(2)3)9-13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyPTFGYCRFTMDQQD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds4

About 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 63131759) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID63131759
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)N(CC(F)(F)F)C(C)C)CCCNC1
InChIInChI=1S/C13H23F3N2O/c1-4-12(6-5-7-17-8-12)11(19)18(10(2)3)9-13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyPTFGYCRFTMDQQD-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
CID 63131353
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
3-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63131429
1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 60947116
N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131888
3-ethyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 63131049
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 55164380
N-cycloheptyl-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130331
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 63131759) is 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCC1(C(=O)N(CC(F)(F)F)C(C)C)CCCNC1.
What is the InChIKey of 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is PTFGYCRFTMDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-12(6-5-7-17-8-12)11(19)18(10(2)3)9-13(14,15)16/h10,17H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).