N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H21F3N4O — CID 127722832

IUPACN-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc(C2CC2)n1
InChIInChI=1S/C16H21F3N4O/c1-10-20-13(11-4-5-11)7-14(21-10)22-15(24)12-3-2-6-23(8-12)9-16(17,18)19/h7,11-12H,2-6,8-9H2,1H3,(H,20,21,22,24)
InChIKeyRCELEBVSMIWNGG-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.88
Rot. Bonds4

About N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 127722832) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID127722832
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC NameN-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc(C2CC2)n1
InChIInChI=1S/C16H21F3N4O/c1-10-20-13(11-4-5-11)7-14(21-10)22-15(24)12-3-2-6-23(8-12)9-16(17,18)19/h7,11-12H,2-6,8-9H2,1H3,(H,20,21,22,24)
InChIKeyRCELEBVSMIWNGG-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 127722832) is N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc(C2CC2)n1.
What is the InChIKey of N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is RCELEBVSMIWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-10-20-13(11-4-5-11)7-14(21-10)22-15(24)12-3-2-6-23(8-12)9-16(17,18)19/h7,11-12H,2-6,8-9H2,1H3,(H,20,21,22,24).
What are the key properties of N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 127722832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).