decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate

C25H38N2O5 — CID 17093864

IUPACdecyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C25H38N2O5/c1-3-4-5-6-7-8-9-10-17-32-24(29)19-22-25(30)26-15-16-27(22)23(28)18-20-11-13-21(31-2)14-12-20/h11-14,22H,3-10,15-19H2,1-2H3,(H,26,30)
InChIKeyXMKVHPCBPRRSPC-UHFFFAOYSA-N
MW446.59 g/mol
LogP3.64
Rot. Bonds14

About decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate

decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 17093864) has the molecular formula C25H38N2O5 and a molecular weight of 446.59 g/mol. Its IUPAC name is decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namedecyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID17093864
Molecular FormulaC25H38N2O5
Molecular Weight446.59 g/mol
Exact Mass446.28
IUPAC Namedecyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C25H38N2O5/c1-3-4-5-6-7-8-9-10-17-32-24(29)19-22-25(30)26-15-16-27(22)23(28)18-20-11-13-21(31-2)14-12-20/h11-14,22H,3-10,15-19H2,1-2H3,(H,26,30)
InChIKeyXMKVHPCBPRRSPC-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
CID 17093892
pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 43877398
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
pentyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073678
butyl 2-[(2R)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9298231
decyl 2-[1-(4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093920
decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17179058
dodecyl 2-[1-(5-bromofuran-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 17086341
dodecyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086289

Frequently Asked Questions

What is the IUPAC name of decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate (CID 17093864) is decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate is CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is XMKVHPCBPRRSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O5/c1-3-4-5-6-7-8-9-10-17-32-24(29)19-22-25(30)26-15-16-27(22)23(28)18-20-11-13-21(31-2)14-12-20/h11-14,22H,3-10,15-19H2,1-2H3,(H,26,30).
What are the key properties of decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate?
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 446.59 g/mol, XLogP of 3.64, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17093864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).