N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide

C18H23N3O2 — CID 71809684

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3cccc3)cc2)CC1
InChIInChI=1S/C18H23N3O2/c1-23-17-8-12-21(13-9-17)16-6-4-15(5-7-16)19-18(22)14-20-10-2-3-11-20/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,19,22)
InChIKeyHEZCLSNGPUHAJB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds5

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide (PubChem CID 71809684) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide
PubChem CID71809684
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3cccc3)cc2)CC1
InChIInChI=1S/C18H23N3O2/c1-23-17-8-12-21(13-9-17)16-6-4-15(5-7-16)19-18(22)14-20-10-2-3-11-20/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,19,22)
InChIKeyHEZCLSNGPUHAJB-UHFFFAOYSA-N
XLogP2.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide (CID 71809684) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide is COC1CCN(c2ccc(NC(=O)Cn3cccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide?
The InChIKey is HEZCLSNGPUHAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-8-12-21(13-9-17)16-6-4-15(5-7-16)19-18(22)14-20-10-2-3-11-20/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 71809684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).