4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid

C15H17ClF3N3O3 — CID 69106943

IUPAC4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid
SMILESO=C(NCCc1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)O)CC1
InChIInChI=1S/C15H17ClF3N3O3/c16-11-7-10(15(17,18)19)8-21-12(11)1-4-20-13(23)9-2-5-22(6-3-9)14(24)25/h7-9H,1-6H2,(H,20,23)(H,24,25)
InChIKeyHXYKCPZTGFNGOA-UHFFFAOYSA-N
MW379.77 g/mol
LogP2.80
Rot. Bonds4

About 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid

4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid (PubChem CID 69106943) has the molecular formula C15H17ClF3N3O3 and a molecular weight of 379.77 g/mol. Its IUPAC name is 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid
PubChem CID69106943
Molecular FormulaC15H17ClF3N3O3
Molecular Weight379.77 g/mol
Exact Mass379.09
IUPAC Name4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid
SMILESO=C(NCCc1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)O)CC1
InChIInChI=1S/C15H17ClF3N3O3/c16-11-7-10(15(17,18)19)8-21-12(11)1-4-20-13(23)9-2-5-22(6-3-9)14(24)25/h7-9H,1-6H2,(H,20,23)(H,24,25)
InChIKeyHXYKCPZTGFNGOA-UHFFFAOYSA-N
XLogP2.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid (CID 69106943) is 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid is O=C(NCCc1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid?
The InChIKey is HXYKCPZTGFNGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O3/c16-11-7-10(15(17,18)19)8-21-12(11)1-4-20-13(23)9-2-5-22(6-3-9)14(24)25/h7-9H,1-6H2,(H,20,23)(H,24,25).
What are the key properties of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid?
4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid has a molecular weight of 379.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69106943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).