N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide

C19H21ClN2O2 — CID 2091443

IUPACN-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c20-15-9-10-18(24-16-7-3-1-4-8-16)17(13-15)21-19(23)14-22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,23)
InChIKeyIBHOWEJCMULNCA-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.56
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide

N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide (PubChem CID 2091443) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide
PubChem CID2091443
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c20-15-9-10-18(24-16-7-3-1-4-8-16)17(13-15)21-19(23)14-22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,23)
InChIKeyIBHOWEJCMULNCA-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide (CID 2091443) is N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide?
The InChIKey is IBHOWEJCMULNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-9-10-18(24-16-7-3-1-4-8-16)17(13-15)21-19(23)14-22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,23).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide?
N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide has a molecular weight of 344.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2091443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).