1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C13H19F3N2O3 — CID 63124624

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C13H19F3N2O3/c1-12(10(19)20)4-6-17(7-5-12)11(21)18(9-2-3-9)8-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)
InChIKeyJVBUXJCUCLEFNC-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.32
Rot. Bonds3

About 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124624) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124624
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C13H19F3N2O3/c1-12(10(19)20)4-6-17(7-5-12)11(21)18(9-2-3-9)8-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)
InChIKeyJVBUXJCUCLEFNC-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63124624) is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N(CC(F)(F)F)C2CC2)CC1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is JVBUXJCUCLEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-12(10(19)20)4-6-17(7-5-12)11(21)18(9-2-3-9)8-13(14,15)16/h9H,2-8H2,1H3,(H,19,20).
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).