N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C17H25F3N4O — CID 72866688

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H25F3N4O/c1-11(2)24-8-5-13(6-9-24)16(25)21-7-4-15-22-12(3)10-14(23-15)17(18,19)20/h10-11,13H,4-9H2,1-3H3,(H,21,25)
InChIKeyOPALGUQPZXLPJH-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.58
Rot. Bonds5

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72866688) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72866688
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H25F3N4O/c1-11(2)24-8-5-13(6-9-24)16(25)21-7-4-15-22-12(3)10-14(23-15)17(18,19)20/h10-11,13H,4-9H2,1-3H3,(H,21,25)
InChIKeyOPALGUQPZXLPJH-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72866688) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C2CCN(C(C)C)CC2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is OPALGUQPZXLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-11(2)24-8-5-13(6-9-24)16(25)21-7-4-15-22-12(3)10-14(23-15)17(18,19)20/h10-11,13H,4-9H2,1-3H3,(H,21,25).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72866688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).