2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate

C15H23F3N2O3 — CID 47020995

IUPAC2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C1CC1)N(C)C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c1-10(11-3-4-11)19(2)13(21)12-5-7-20(8-6-12)14(22)23-9-15(16,17)18/h10-12H,3-9H2,1-2H3
InChIKeyAASCYXXAOVYUDB-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.65
Rot. Bonds4

About 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 47020995) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID47020995
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C1CC1)N(C)C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c1-10(11-3-4-11)19(2)13(21)12-5-7-20(8-6-12)14(22)23-9-15(16,17)18/h10-12H,3-9H2,1-2H3
InChIKeyAASCYXXAOVYUDB-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
CID 9115251
1-(1-Trifluoromethyl-cyclopropanecarbonyl)-piperidine-4-carboxylic acid ethyl ester
CID 66865273
Ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
CID 66889290
Ethyl 4-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
CID 71569974
2-Methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate
CID 163488198
2-Methylpropyl 3,3-difluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 168164769
2,2,2-Trifluoroethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 45802346
2,2,2-Trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate
CID 47016949
2,2,2-Trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate
CID 47021882
1-(cyclopropanecarbonyl)-N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53554106
2,2,2-Trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 60705835
2,2,2-Trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60706892

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate (CID 47020995) is 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate is CC(C1CC1)N(C)C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is AASCYXXAOVYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-10(11-3-4-11)19(2)13(21)12-5-7-20(8-6-12)14(22)23-9-15(16,17)18/h10-12H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 47020995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).