N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide

C17H23ClN4O3 — CID 51131186

IUPACN-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4O3/c1-2-15(23)19-11-16(24)20-12-17(25)22-9-7-21(8-10-22)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyRUSCBKYESXVTRL-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.63
Rot. Bonds6

About N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide

N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide (PubChem CID 51131186) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
PubChem CID51131186
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC NameN-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4O3/c1-2-15(23)19-11-16(24)20-12-17(25)22-9-7-21(8-10-22)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyRUSCBKYESXVTRL-UHFFFAOYSA-N
XLogP0.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
N-tert-butyl-2-[[[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385906
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871513
1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
CID 102279125
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide (CID 51131186) is N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is RUSCBKYESXVTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-2-15(23)19-11-16(24)20-12-17(25)22-9-7-21(8-10-22)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 366.85 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 51131186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).