N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

C21H24ClN3O2 — CID 9461604

IUPACN-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(13-19)16-24-9-11-25(12-10-24)21(27)15-23-20(26)14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,23,26)
InChIKeyYRWYGRISEXNXCG-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 9461604) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID9461604
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(13-19)16-24-9-11-25(12-10-24)21(27)15-23-20(26)14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,23,26)
InChIKeyYRWYGRISEXNXCG-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 9461604) is N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is YRWYGRISEXNXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(13-19)16-24-9-11-25(12-10-24)21(27)15-23-20(26)14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,23,26).
What are the key properties of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 385.90 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9461604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).