2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide

C24H26ClN3O2 — CID 11676200

IUPAC2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H26ClN3O2/c25-20-5-4-8-23(15-20)30-18-24(29)26-21-10-12-27(13-11-21)16-19-9-14-28(17-19)22-6-2-1-3-7-22/h1-9,14-15,17,21H,10-13,16,18H2,(H,26,29)
InChIKeyUQIDDUFVELLMJI-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.29
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 11676200) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID11676200
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H26ClN3O2/c25-20-5-4-8-23(15-20)30-18-24(29)26-21-10-12-27(13-11-21)16-19-9-14-28(17-19)22-6-2-1-3-7-22/h1-9,14-15,17,21H,10-13,16,18H2,(H,26,29)
InChIKeyUQIDDUFVELLMJI-UHFFFAOYSA-N
XLogP4.29
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 831713
CID 831713
CID 2524533
CID 2524533
CID 2572372
CID 2572372
CID 11510669
CID 11510669
CID 11511776
CID 11511776
CID 11554989
CID 11554989
CID 11561155
CID 11561155
CID 11604236
CID 11604236
CID 11633862
CID 11633862
CID 11634061
CID 11634061
CID 11677806
CID 11677806
CID 11712898
CID 11712898

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide (CID 11676200) is 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is UQIDDUFVELLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c25-20-5-4-8-23(15-20)30-18-24(29)26-21-10-12-27(13-11-21)16-19-9-14-28(17-19)22-6-2-1-3-7-22/h1-9,14-15,17,21H,10-13,16,18H2,(H,26,29).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 423.94 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11676200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).