2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide

C17H23N3O4S — CID 38047605

IUPAC2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCSCC(N)=O)CC2)c1
InChIInChI=1S/C17H23N3O4S/c1-24-14-4-2-3-13(11-14)17(23)20-8-6-19(7-9-20)16(22)5-10-25-12-15(18)21/h2-4,11H,5-10,12H2,1H3,(H2,18,21)
InChIKeyQHRAVIVFUZYQHI-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.59
Rot. Bonds7

About 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide

2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide (PubChem CID 38047605) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
PubChem CID38047605
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCSCC(N)=O)CC2)c1
InChIInChI=1S/C17H23N3O4S/c1-24-14-4-2-3-13(11-14)17(23)20-8-6-19(7-9-20)16(22)5-10-25-12-15(18)21/h2-4,11H,5-10,12H2,1H3,(H2,18,21)
InChIKeyQHRAVIVFUZYQHI-UHFFFAOYSA-N
XLogP0.59
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108534205
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-(4-chlorophenyl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544951
3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 29154201
3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949990
4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 38046364
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide?
The IUPAC name of 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide (CID 38047605) is 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide?
The canonical SMILES for 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide is COc1cccc(C(=O)N2CCN(C(=O)CCSCC(N)=O)CC2)c1.
What is the InChIKey of 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide?
The InChIKey is QHRAVIVFUZYQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-24-14-4-2-3-13(11-14)17(23)20-8-6-19(7-9-20)16(22)5-10-25-12-15(18)21/h2-4,11H,5-10,12H2,1H3,(H2,18,21).
What are the key properties of 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide?
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide has a molecular weight of 365.46 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide is sourced from PubChem (CID 38047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).