[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid

C17H21F3N4O3 — CID 69034315

IUPAC[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)13-2-1-3-14(22-13)23-7-4-11(5-8-23)15(25)24-9-6-12(10-24)21-16(26)27/h1-3,11-12,21H,4-10H2,(H,26,27)
InChIKeyJVIVHNUDPMWAET-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.19
Rot. Bonds3

About [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid

[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid (PubChem CID 69034315) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid
PubChem CID69034315
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)13-2-1-3-14(22-13)23-7-4-11(5-8-23)15(25)24-9-6-12(10-24)21-16(26)27/h1-3,11-12,21H,4-10H2,(H,26,27)
InChIKeyJVIVHNUDPMWAET-UHFFFAOYSA-N
XLogP2.19
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid (CID 69034315) is [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is JVIVHNUDPMWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-17(19,20)13-2-1-3-14(22-13)23-7-4-11(5-8-23)15(25)24-9-6-12(10-24)21-16(26)27/h1-3,11-12,21H,4-10H2,(H,26,27).
What are the key properties of [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid?
[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 386.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 69034315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).