decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate

C28H38N2O4 — CID 17093892

IUPACdecyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C28H38N2O4/c1-2-3-4-5-6-7-8-11-19-34-27(32)21-25-28(33)29-17-18-30(25)26(31)20-23-15-12-14-22-13-9-10-16-24(22)23/h9-10,12-16,25H,2-8,11,17-21H2,1H3,(H,29,33)
InChIKeyQBOJEAUNPRAPBO-UHFFFAOYSA-N
MW466.62 g/mol
LogP4.78
Rot. Bonds13

About decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate

decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 17093892) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namedecyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
PubChem CID17093892
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC Namedecyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C28H38N2O4/c1-2-3-4-5-6-7-8-11-19-34-27(32)21-25-28(33)29-17-18-30(25)26(31)20-23-15-12-14-22-13-9-10-16-24(22)23/h9-10,12-16,25H,2-8,11,17-21H2,1H3,(H,29,33)
InChIKeyQBOJEAUNPRAPBO-UHFFFAOYSA-N
XLogP4.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 43877398
decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17179058
decyl 2-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-oxopiperazin-2-yl]acetate
CID 17093860
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
butyl 2-[1-[2-(naphthalen-1-ylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54809104
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093864
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
butyl 2-[1-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54789910
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
decyl 2-[1-[2-(2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093891
propyl 2-[1-[2-(naphthalen-1-ylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54809310

Frequently Asked Questions

What is the IUPAC name of decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate (CID 17093892) is decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate is CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is QBOJEAUNPRAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-2-3-4-5-6-7-8-11-19-34-27(32)21-25-28(33)29-17-18-30(25)26(31)20-23-15-12-14-22-13-9-10-16-24(22)23/h9-10,12-16,25H,2-8,11,17-21H2,1H3,(H,29,33).
What are the key properties of decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate?
decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 466.62 g/mol, XLogP of 4.78, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17093892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).