4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide

C17H25ClN4O3 — CID 120596278

IUPAC4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN4O3/c1-25-15(11-19)10-16(23)20-12-17(24)22-8-6-21(7-9-22)14-4-2-13(18)3-5-14/h2-5,15H,6-12,19H2,1H3,(H,20,23)
InChIKeyWWDSIYGJCSKWSR-UHFFFAOYSA-N
MW368.87 g/mol
LogP0.47
Rot. Bonds7

About 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide

4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide (PubChem CID 120596278) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
PubChem CID120596278
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC Name4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN4O3/c1-25-15(11-19)10-16(23)20-12-17(24)22-8-6-21(7-9-22)14-4-2-13(18)3-5-14/h2-5,15H,6-12,19H2,1H3,(H,20,23)
InChIKeyWWDSIYGJCSKWSR-UHFFFAOYSA-N
XLogP0.47
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
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
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 56763315
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871513

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide (CID 120596278) is 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide?
The InChIKey is WWDSIYGJCSKWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c1-25-15(11-19)10-16(23)20-12-17(24)22-8-6-21(7-9-22)14-4-2-13(18)3-5-14/h2-5,15H,6-12,19H2,1H3,(H,20,23).
What are the key properties of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide?
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide has a molecular weight of 368.87 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide is sourced from PubChem (CID 120596278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).