[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone

C19H23ClN2O3 — CID 137345033

IUPAC[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(C(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)CC1
InChIInChI=1S/C19H23ClN2O3/c20-16-4-2-1-3-14(16)19(25)21-7-5-12(6-8-21)18(24)22-10-13-9-17(23)15(13)11-22/h1-4,12-13,15,17,23H,5-11H2/t13-,15+,17-/m1/s1
InChIKeyLINMEWYCVKWKEJ-UKPHBRMFSA-N
MW362.86 g/mol
LogP2.03
Rot. Bonds2

About [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone

[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone (PubChem CID 137345033) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
PubChem CID137345033
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(C(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)CC1
InChIInChI=1S/C19H23ClN2O3/c20-16-4-2-1-3-14(16)19(25)21-7-5-12(6-8-21)18(24)22-10-13-9-17(23)15(13)11-22/h1-4,12-13,15,17,23H,5-11H2/t13-,15+,17-/m1/s1
InChIKeyLINMEWYCVKWKEJ-UKPHBRMFSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone (CID 137345033) is [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone is O=C(c1ccccc1Cl)N1CCC(C(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)CC1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The InChIKey is LINMEWYCVKWKEJ-UKPHBRMFSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-16-4-2-1-3-14(16)19(25)21-7-5-12(6-8-21)18(24)22-10-13-9-17(23)15(13)11-22/h1-4,12-13,15,17,23H,5-11H2/t13-,15+,17-/m1/s1.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone has a molecular weight of 362.86 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone is sourced from PubChem (CID 137345033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).