N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide

C20H23N3O2 — CID 673371

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-22-11-13-23(14-12-22)20(25)17-9-5-6-10-18(17)21-19(24)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyFBDIEIHFROPDNG-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide (PubChem CID 673371) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide
PubChem CID673371
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-22-11-13-23(14-12-22)20(25)17-9-5-6-10-18(17)21-19(24)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyFBDIEIHFROPDNG-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide (CID 673371) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide is CN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide?
The InChIKey is FBDIEIHFROPDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-11-13-23(14-12-22)20(25)17-9-5-6-10-18(17)21-19(24)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide has a molecular weight of 337.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 673371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).