N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide

C19H29N3O3 — CID 112789670

IUPACN-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide
SMILESCOc1cccc(N2CCN(C(=O)CCCCCNC(C)=O)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-16(23)20-10-5-3-4-9-19(24)22-13-11-21(12-14-22)17-7-6-8-18(15-17)25-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,20,23)
InChIKeySTHOXNDGXGYOPG-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.04
Rot. Bonds8

About N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide

N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide (PubChem CID 112789670) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide
PubChem CID112789670
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide
SMILESCOc1cccc(N2CCN(C(=O)CCCCCNC(C)=O)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-16(23)20-10-5-3-4-9-19(24)22-13-11-21(12-14-22)17-7-6-8-18(15-17)25-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,20,23)
InChIKeySTHOXNDGXGYOPG-UHFFFAOYSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
1-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9372365
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
N-(5-methoxypentyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290233
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861
3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38601321
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-2-oxobutanamide
CID 113097898
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide?
The IUPAC name of N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide (CID 112789670) is N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide.
What is the SMILES notation for N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide?
The canonical SMILES for N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide is COc1cccc(N2CCN(C(=O)CCCCCNC(C)=O)CC2)c1.
What is the InChIKey of N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide?
The InChIKey is STHOXNDGXGYOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-16(23)20-10-5-3-4-9-19(24)22-13-11-21(12-14-22)17-7-6-8-18(15-17)25-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,20,23).
What are the key properties of N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide?
N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide is sourced from PubChem (CID 112789670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).