[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone

C17H21ClF3N3O — CID 2766910

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C17H21ClF3N3O/c18-14-10-13(17(19,20)21)11-22-15(14)23-8-4-12(5-9-23)16(25)24-6-2-1-3-7-24/h10-12H,1-9H2
InChIKeyJDACSCPSZNUHIB-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.98
Rot. Bonds2

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 2766910) has the molecular formula C17H21ClF3N3O and a molecular weight of 375.82 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID2766910
Molecular FormulaC17H21ClF3N3O
Molecular Weight375.82 g/mol
Exact Mass375.13
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C17H21ClF3N3O/c18-14-10-13(17(19,20)21)11-22-15(14)23-8-4-12(5-9-23)16(25)24-6-2-1-3-7-24/h10-12H,1-9H2
InChIKeyJDACSCPSZNUHIB-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 2766910) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCCC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is JDACSCPSZNUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3O/c18-14-10-13(17(19,20)21)11-22-15(14)23-8-4-12(5-9-23)16(25)24-6-2-1-3-7-24/h10-12H,1-9H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 375.82 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2766910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).