4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride

C16H25Cl3N4O2 — CID 119871517

IUPAC4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O2.2ClH/c17-13-3-5-14(6-4-13)20-8-10-21(11-9-20)16(23)12-19-15(22)2-1-7-18;;/h3-6H,1-2,7-12,18H2,(H,19,22);2*1H
InChIKeyUVGLNWRCHGWYCH-UHFFFAOYSA-N
MW411.76 g/mol
LogP1.69
Rot. Bonds6

About 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride

4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride (PubChem CID 119871517) has the molecular formula C16H25Cl3N4O2 and a molecular weight of 411.76 g/mol. Its IUPAC name is 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
PubChem CID119871517
Molecular FormulaC16H25Cl3N4O2
Molecular Weight411.76 g/mol
Exact Mass410.10
IUPAC Name4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O2.2ClH/c17-13-3-5-14(6-4-13)20-8-10-21(11-9-20)16(23)12-19-15(22)2-1-7-18;;/h3-6H,1-2,7-12,18H2,(H,19,22);2*1H
InChIKeyUVGLNWRCHGWYCH-UHFFFAOYSA-N
XLogP1.69
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.76
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]pentanamide;dihydrochloride
CID 120565211
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]-3-methoxybutanamide
CID 120596278
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871513
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 56763315
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride (CID 119871517) is 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=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]butanamide;dihydrochloride?
The InChIKey is UVGLNWRCHGWYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2.2ClH/c17-13-3-5-14(6-4-13)20-8-10-21(11-9-20)16(23)12-19-15(22)2-1-7-18;;/h3-6H,1-2,7-12,18H2,(H,19,22);2*1H.
What are the key properties of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride?
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride has a molecular weight of 411.76 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119871517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).