[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone

C18H15ClF2N2O3 — CID 58487107

IUPAC[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1
InChIInChI=1S/C18H15ClF2N2O3/c19-13-9-16-15(25-18(20,21)26-16)8-12(13)11-4-5-14(22-10-11)17(24)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2
InChIKeyJWLRZEIFSORNNI-UHFFFAOYSA-N
MW380.78 g/mol
LogP4.35
Rot. Bonds2

About [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone

[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 58487107) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID58487107
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC Name[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1
InChIInChI=1S/C18H15ClF2N2O3/c19-13-9-16-15(25-18(20,21)26-16)8-12(13)11-4-5-14(22-10-11)17(24)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2
InChIKeyJWLRZEIFSORNNI-UHFFFAOYSA-N
XLogP4.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone (CID 58487107) is [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1.
What is the InChIKey of [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is JWLRZEIFSORNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c19-13-9-16-15(25-18(20,21)26-16)8-12(13)11-4-5-14(22-10-11)17(24)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2.
What are the key properties of [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 380.78 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 58487107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).