N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide

C12H20F3N3O — CID 114908961

IUPACN-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NN1CCCCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-4-5-10(16-8-9)11(19)17-18-6-2-1-3-7-18/h9-10,16H,1-8H2,(H,17,19)
InChIKeyQLZYRDVJYFRFBK-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.43
Rot. Bonds2

About N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide

N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908961) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908961
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NN1CCCCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-4-5-10(16-8-9)11(19)17-18-6-2-1-3-7-18/h9-10,16H,1-8H2,(H,17,19)
InChIKeyQLZYRDVJYFRFBK-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908961) is N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NN1CCCCC1)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is QLZYRDVJYFRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-4-5-10(16-8-9)11(19)17-18-6-2-1-3-7-18/h9-10,16H,1-8H2,(H,17,19).
What are the key properties of N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).