4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide

C15H21F3N4O2 — CID 47492040

IUPAC4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C15H21F3N4O2/c1-10(2)9-21-3-5-22(6-4-21)14(24)20-12-7-11(15(16,17)18)8-19-13(12)23/h7-8,10H,3-6,9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCNZMRKUOZJTXPS-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.20
Rot. Bonds3

About 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide

4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide (PubChem CID 47492040) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide
PubChem CID47492040
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C15H21F3N4O2/c1-10(2)9-21-3-5-22(6-4-21)14(24)20-12-7-11(15(16,17)18)8-19-13(12)23/h7-8,10H,3-6,9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCNZMRKUOZJTXPS-UHFFFAOYSA-N
XLogP2.20
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide (CID 47492040) is 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide is CC(C)CN1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide?
The InChIKey is CNZMRKUOZJTXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10(2)9-21-3-5-22(6-4-21)14(24)20-12-7-11(15(16,17)18)8-19-13(12)23/h7-8,10H,3-6,9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide?
4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 47492040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).