(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide

C16H23F3N4O — CID 138000209

IUPAC(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C16H23F3N4O/c1-22(9-13-20-7-8-23(13)10-16(17,18)19)15(24)12-3-2-6-21-14(12)11-4-5-11/h7-8,11-12,14,21H,2-6,9-10H2,1H3/t12-,14-/m1/s1
InChIKeyACQHERBVMPOMSR-TZMCWYRMSA-N
MW344.38 g/mol
LogP2.18
Rot. Bonds5

About (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide

(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 138000209) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID138000209
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C16H23F3N4O/c1-22(9-13-20-7-8-23(13)10-16(17,18)19)15(24)12-3-2-6-21-14(12)11-4-5-11/h7-8,11-12,14,21H,2-6,9-10H2,1H3/t12-,14-/m1/s1
InChIKeyACQHERBVMPOMSR-TZMCWYRMSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide (CID 138000209) is (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide is CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1CCCN[C@@H]1C1CC1.
What is the InChIKey of (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is ACQHERBVMPOMSR-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-22(9-13-20-7-8-23(13)10-16(17,18)19)15(24)12-3-2-6-21-14(12)11-4-5-11/h7-8,11-12,14,21H,2-6,9-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide?
(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 138000209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).