2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide

C17H25F3N6O — CID 120810967

IUPAC2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(N2CCCCC2)n1
InChIInChI=1S/C17H25F3N6O/c18-17(19,20)14(25-10-6-21-7-11-25)12-23-15(27)13-4-5-22-16(24-13)26-8-2-1-3-9-26/h4-5,14,21H,1-3,6-12H2,(H,23,27)
InChIKeyHJIFKAVZKRJGTE-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.03
Rot. Bonds5

About 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide

2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 120810967) has the molecular formula C17H25F3N6O and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
PubChem CID120810967
Molecular FormulaC17H25F3N6O
Molecular Weight386.42 g/mol
Exact Mass386.20
IUPAC Name2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(N2CCCCC2)n1
InChIInChI=1S/C17H25F3N6O/c18-17(19,20)14(25-10-6-21-7-11-25)12-23-15(27)13-4-5-22-16(24-13)26-8-2-1-3-9-26/h4-5,14,21H,1-3,6-12H2,(H,23,27)
InChIKeyHJIFKAVZKRJGTE-UHFFFAOYSA-N
XLogP1.03
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide (CID 120810967) is 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is HJIFKAVZKRJGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N6O/c18-17(19,20)14(25-10-6-21-7-11-25)12-23-15(27)13-4-5-22-16(24-13)26-8-2-1-3-9-26/h4-5,14,21H,1-3,6-12H2,(H,23,27).
What are the key properties of 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 120810967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).