1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide

C16H20F3N5O2 — CID 69180380

IUPAC1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)12-1-5-21-15(22-12)23-6-2-10(3-7-23)14(26)24-8-4-11(9-24)13(20)25/h1,5,10-11H,2-4,6-9H2,(H2,20,25)
InChIKeyVAEQHUQENSDRTB-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.05
Rot. Bonds3

About 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide

1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 69180380) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID69180380
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)12-1-5-21-15(22-12)23-6-2-10(3-7-23)14(26)24-8-4-11(9-24)13(20)25/h1,5,10-11H,2-4,6-9H2,(H2,20,25)
InChIKeyVAEQHUQENSDRTB-UHFFFAOYSA-N
XLogP1.05
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide (CID 69180380) is 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is VAEQHUQENSDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c17-16(18,19)12-1-5-21-15(22-12)23-6-2-10(3-7-23)14(26)24-8-4-11(9-24)13(20)25/h1,5,10-11H,2-4,6-9H2,(H2,20,25).
What are the key properties of 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 69180380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).