N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

C13H21F3N2O — CID 54870149

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CCCCN1
InChIInChI=1S/C13H21F3N2O/c1-9(10-5-6-10)18(8-13(14,15)16)12(19)11-4-2-3-7-17-11/h9-11,17H,2-8H2,1H3
InChIKeyYYOKBDAKCWVDAP-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.32
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 54870149) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID54870149
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CCCCN1
InChIInChI=1S/C13H21F3N2O/c1-9(10-5-6-10)18(8-13(14,15)16)12(19)11-4-2-3-7-17-11/h9-11,17H,2-8H2,1H3
InChIKeyYYOKBDAKCWVDAP-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428415
(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129178
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54871879
2-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 55036006
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
CID 103809890
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282
3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948883
3-chloro-N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55110482
6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 55009103
2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79809276

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 54870149) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1CCCCN1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is YYOKBDAKCWVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9(10-5-6-10)18(8-13(14,15)16)12(19)11-4-2-3-7-17-11/h9-11,17H,2-8H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 54870149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).