propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C22H32N4O6 — CID 54819699

IUPACpropyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)NCCCOC)c1
InChIInChI=1S/C22H32N4O6/c1-3-11-32-20(28)14-18-22(30)24-9-10-26(18)15-19(27)25-17-7-4-6-16(13-17)21(29)23-8-5-12-31-2/h4,6-7,13,18H,3,5,8-12,14-15H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)
InChIKeyLZSVYMTZPYVQHM-UHFFFAOYSA-N
MW448.52 g/mol
LogP0.54
Rot. Bonds12

About propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54819699) has the molecular formula C22H32N4O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54819699
Molecular FormulaC22H32N4O6
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC Namepropyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)NCCCOC)c1
InChIInChI=1S/C22H32N4O6/c1-3-11-32-20(28)14-18-22(30)24-9-10-26(18)15-19(27)25-17-7-4-6-16(13-17)21(29)23-8-5-12-31-2/h4,6-7,13,18H,3,5,8-12,14-15H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)
InChIKeyLZSVYMTZPYVQHM-UHFFFAOYSA-N
XLogP0.54
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

butyl 2-[1-[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822729
propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819731
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589
propyl 2-[3-oxo-1-[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]piperazin-2-yl]acetate
CID 54819765
propyl 2-[3-oxo-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]piperazin-2-yl]acetate
CID 54819832
2-methylpropyl 2-[1-[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54824922
butyl 2-[1-[2-(3-chloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822781
propyl 2-[1-[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819855
butyl 2-[1-[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823094
butyl 2-[1-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823128
propyl 2-[1-[2-[3-(2-methoxyethylcarbamoyl)anilino]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54836037
propyl 2-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819756

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 54819699) is propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)NCCCOC)c1.
What is the InChIKey of propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is LZSVYMTZPYVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O6/c1-3-11-32-20(28)14-18-22(30)24-9-10-26(18)15-19(27)25-17-7-4-6-16(13-17)21(29)23-8-5-12-31-2/h4,6-7,13,18H,3,5,8-12,14-15H2,1-2H3,(H,23,29)(H,24,30)(H,25,27).
What are the key properties of propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 448.52 g/mol, XLogP of 0.54, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54819699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).