N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide

C17H23N3O3S — CID 56783474

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CSc2ccccc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-14(21)19-9-11-20(12-10-19)17(23)7-8-18-16(22)13-24-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,18,22)
InChIKeyAPROSLFBZSNHRP-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.98
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide (PubChem CID 56783474) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
PubChem CID56783474
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CSc2ccccc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-14(21)19-9-11-20(12-10-19)17(23)7-8-18-16(22)13-24-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,18,22)
InChIKeyAPROSLFBZSNHRP-UHFFFAOYSA-N
XLogP0.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea
CID 110287264
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 110306324
2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78810219
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide (CID 56783474) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide is CC(=O)N1CCN(C(=O)CCNC(=O)CSc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide?
The InChIKey is APROSLFBZSNHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14(21)19-9-11-20(12-10-19)17(23)7-8-18-16(22)13-24-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,18,22).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 56783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).