(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide

C14H19F3N4O2 — CID 99836109

IUPAC(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)ncn1
InChIInChI=1S/C14H19F3N4O2/c1-13(2)7-21(5-4-9(13)14(15,16)17)12(22)20-10-6-11(23-3)19-8-18-10/h6,8-9H,4-5,7H2,1-3H3,(H,18,19,20,22)/t9-/m1/s1
InChIKeyYJOKVJHPJGVMQX-SECBINFHSA-N
MW332.33 g/mol
LogP2.93
Rot. Bonds2

About (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide

(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 99836109) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID99836109
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)ncn1
InChIInChI=1S/C14H19F3N4O2/c1-13(2)7-21(5-4-9(13)14(15,16)17)12(22)20-10-6-11(23-3)19-8-18-10/h6,8-9H,4-5,7H2,1-3H3,(H,18,19,20,22)/t9-/m1/s1
InChIKeyYJOKVJHPJGVMQX-SECBINFHSA-N
XLogP2.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 99836109) is (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)ncn1.
What is the InChIKey of (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is YJOKVJHPJGVMQX-SECBINFHSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-13(2)7-21(5-4-9(13)14(15,16)17)12(22)20-10-6-11(23-3)19-8-18-10/h6,8-9H,4-5,7H2,1-3H3,(H,18,19,20,22)/t9-/m1/s1.
What are the key properties of (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99836109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).