(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide

C14H21F3N6O2 — CID 51963892

IUPAC(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1
InChIInChI=1S/C14H21F3N6O2/c1-3-22(4-2)13(25)23-7-5-6-9(8-23)10(24)18-12-19-11(20-21-12)14(15,16)17/h9H,3-8H2,1-2H3,(H2,18,19,20,21,24)/t9-/m1/s1
InChIKeyFBPFCWWYBHUXRQ-SECBINFHSA-N
MW362.36 g/mol
LogP1.94
Rot. Bonds4

About (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide

(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide (PubChem CID 51963892) has the molecular formula C14H21F3N6O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
PubChem CID51963892
Molecular FormulaC14H21F3N6O2
Molecular Weight362.36 g/mol
Exact Mass362.17
IUPAC Name(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1
InChIInChI=1S/C14H21F3N6O2/c1-3-22(4-2)13(25)23-7-5-6-9(8-23)10(24)18-12-19-11(20-21-12)14(15,16)17/h9H,3-8H2,1-2H3,(H2,18,19,20,21,24)/t9-/m1/s1
InChIKeyFBPFCWWYBHUXRQ-SECBINFHSA-N
XLogP1.94
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide (CID 51963892) is (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1.
What is the InChIKey of (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide?
The InChIKey is FBPFCWWYBHUXRQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H21F3N6O2/c1-3-22(4-2)13(25)23-7-5-6-9(8-23)10(24)18-12-19-11(20-21-12)14(15,16)17/h9H,3-8H2,1-2H3,(H2,18,19,20,21,24)/t9-/m1/s1.
What are the key properties of (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide?
(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide has a molecular weight of 362.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51963892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).