N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide

C20H32N4O3 — CID 51261324

IUPACN-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)C(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H32N4O3/c1-17(22(2)16-19(25)21-10-7-15-27-3)20(26)24-13-11-23(12-14-24)18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,21,25)
InChIKeyMFDURMLVRWXBDY-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.81
Rot. Bonds9

About N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide

N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide (PubChem CID 51261324) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide
PubChem CID51261324
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)C(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H32N4O3/c1-17(22(2)16-19(25)21-10-7-15-27-3)20(26)24-13-11-23(12-14-24)18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,21,25)
InChIKeyMFDURMLVRWXBDY-UHFFFAOYSA-N
XLogP0.81
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]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

N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
3-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]propanoic acid
CID 119912257
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-ethyl-3-(3-methoxypropyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 110974660
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94182259
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
CID 110348003
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide (CID 51261324) is N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide is COCCCNC(=O)CN(C)C(C)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is MFDURMLVRWXBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-17(22(2)16-19(25)21-10-7-15-27-3)20(26)24-13-11-23(12-14-24)18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,21,25).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 376.50 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 51261324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).