(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide

C16H24F3N3O2 — CID 95932417

IUPAC(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)11-21-14(23)13-7-4-8-22(10-13)15(24)20-9-12-5-2-1-3-6-12/h1-2,12-13H,3-11H2,(H,20,24)(H,21,23)/t12-,13+/m0/s1
InChIKeyHNGCPDQFCLAJEU-QWHCGFSZSA-N
MW347.38 g/mol
LogP2.44
Rot. Bonds4

About (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide

(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide (PubChem CID 95932417) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
PubChem CID95932417
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)11-21-14(23)13-7-4-8-22(10-13)15(24)20-9-12-5-2-1-3-6-12/h1-2,12-13H,3-11H2,(H,20,24)(H,21,23)/t12-,13+/m0/s1
InChIKeyHNGCPDQFCLAJEU-QWHCGFSZSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide (CID 95932417) is (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide is O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1.
What is the InChIKey of (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The InChIKey is HNGCPDQFCLAJEU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c17-16(18,19)11-21-14(23)13-7-4-8-22(10-13)15(24)20-9-12-5-2-1-3-6-12/h1-2,12-13H,3-11H2,(H,20,24)(H,21,23)/t12-,13+/m0/s1.
What are the key properties of (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95932417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).