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

C16H19ClF3N3O — CID 2766907

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H19ClF3N3O/c17-13-9-12(16(18,19)20)10-21-14(13)22-7-3-11(4-8-22)15(24)23-5-1-2-6-23/h9-11H,1-8H2
InChIKeyWCVSBRXUABWRGC-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.59
Rot. Bonds2

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

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2766907) has the molecular formula C16H19ClF3N3O and a molecular weight of 361.80 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID2766907
Molecular FormulaC16H19ClF3N3O
Molecular Weight361.80 g/mol
Exact Mass361.12
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H19ClF3N3O/c17-13-9-12(16(18,19)20)10-21-14(13)22-7-3-11(4-8-22)15(24)23-5-1-2-6-23/h9-11H,1-8H2
InChIKeyWCVSBRXUABWRGC-UHFFFAOYSA-N
XLogP3.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.59
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 2766907) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WCVSBRXUABWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O/c17-13-9-12(16(18,19)20)10-21-14(13)22-7-3-11(4-8-22)15(24)23-5-1-2-6-23/h9-11H,1-8H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 361.80 g/mol, XLogP of 3.59, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2766907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).