decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate

C25H37ClN2O4 — CID 17179058

IUPACdecyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C25H37ClN2O4/c1-2-3-4-5-6-7-8-11-18-32-24(30)19-22-25(31)27-16-17-28(22)23(29)15-14-20-12-9-10-13-21(20)26/h9-10,12-13,22H,2-8,11,14-19H2,1H3,(H,27,31)
InChIKeyWOFSLWYEQRGPGC-UHFFFAOYSA-N
MW465.03 g/mol
LogP4.67
Rot. Bonds14

About decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate

decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 17179058) has the molecular formula C25H37ClN2O4 and a molecular weight of 465.03 g/mol. Its IUPAC name is decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namedecyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID17179058
Molecular FormulaC25H37ClN2O4
Molecular Weight465.03 g/mol
Exact Mass464.24
IUPAC Namedecyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C25H37ClN2O4/c1-2-3-4-5-6-7-8-11-18-32-24(30)19-22-25(31)27-16-17-28(22)23(29)15-14-20-12-9-10-13-21(20)26/h9-10,12-13,22H,2-8,11,14-19H2,1H3,(H,27,31)
InChIKeyWOFSLWYEQRGPGC-UHFFFAOYSA-N
XLogP4.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.03
LogP ≤ 54.67
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-[2-(2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093891
decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
CID 17093892
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
butyl 2-[1-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54789910
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
decyl 2-[1-[(2-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17094098
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093864
dodecyl 2-[3-oxo-1-(phenothiazine-10-carbonyl)piperazin-2-yl]acetate
CID 17086378
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
dodecyl 2-[1-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086371

Frequently Asked Questions

What is the IUPAC name of decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate (CID 17179058) is decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate is CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)CCc1ccccc1Cl.
What is the InChIKey of decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is WOFSLWYEQRGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37ClN2O4/c1-2-3-4-5-6-7-8-11-18-32-24(30)19-22-25(31)27-16-17-28(22)23(29)15-14-20-12-9-10-13-21(20)26/h9-10,12-13,22H,2-8,11,14-19H2,1H3,(H,27,31).
What are the key properties of decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate?
decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 465.03 g/mol, XLogP of 4.67, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17179058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).