N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

C17H23Cl2N3O2 — CID 56896085

IUPACN-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CN1CCNC(=O)C1CC(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-11(2)10-22-6-5-20-17(24)15(22)8-16(23)21-9-12-7-13(18)3-4-14(12)19/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFGIPCWSAMITENK-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.46
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 56896085) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID56896085
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CN1CCNC(=O)C1CC(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-11(2)10-22-6-5-20-17(24)15(22)8-16(23)21-9-12-7-13(18)3-4-14(12)19/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFGIPCWSAMITENK-UHFFFAOYSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (CID 56896085) is N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is CC(C)CN1CCNC(=O)C1CC(=O)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is FGIPCWSAMITENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-11(2)10-22-6-5-20-17(24)15(22)8-16(23)21-9-12-7-13(18)3-4-14(12)19/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 372.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 56896085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).