1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide

C14H20F3N5O — CID 133271070

IUPAC1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O/c1-8-4-5-9(12(18)23)7-22(8)13-19-10(14(15,16)17)6-11(20-13)21(2)3/h6,8-9H,4-5,7H2,1-3H3,(H2,18,23)
InChIKeyFXEGFHRODXWNFE-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.65
Rot. Bonds3

About 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide

1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 133271070) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
PubChem CID133271070
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O/c1-8-4-5-9(12(18)23)7-22(8)13-19-10(14(15,16)17)6-11(20-13)21(2)3/h6,8-9H,4-5,7H2,1-3H3,(H2,18,23)
InChIKeyFXEGFHRODXWNFE-UHFFFAOYSA-N
XLogP1.65
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide (CID 133271070) is 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is FXEGFHRODXWNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-8-4-5-9(12(18)23)7-22(8)13-19-10(14(15,16)17)6-11(20-13)21(2)3/h6,8-9H,4-5,7H2,1-3H3,(H2,18,23).
What are the key properties of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide?
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 133271070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).