2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C17H26N4O3 — CID 119836348

IUPAC2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H26N4O3/c1-24-12-7-19-15(22)13-20-8-10-21(11-9-20)17(23)16(18)14-5-3-2-4-6-14/h2-6,16H,7-13,18H2,1H3,(H,19,22)
InChIKeyPNGRCGCUMWWLQL-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.41
Rot. Bonds7

About 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 119836348) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID119836348
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H26N4O3/c1-24-12-7-19-15(22)13-20-8-10-21(11-9-20)17(23)16(18)14-5-3-2-4-6-14/h2-6,16H,7-13,18H2,1H3,(H,19,22)
InChIKeyPNGRCGCUMWWLQL-UHFFFAOYSA-N
XLogP-0.41
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119836390
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 119836348) is 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PNGRCGCUMWWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-12-7-19-15(22)13-20-8-10-21(11-9-20)17(23)16(18)14-5-3-2-4-6-14/h2-6,16H,7-13,18H2,1H3,(H,19,22).
What are the key properties of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 119836348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).