(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide

C17H27N3O2 — CID 9275184

IUPAC(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-15(17(21)18-8-13-22-2)20-11-9-19(10-12-20)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyPKLKHCZCSPLQIL-OAHLLOKOSA-N
MW305.42 g/mol
LogP0.96
Rot. Bonds7

About (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 9275184) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID9275184
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-15(17(21)18-8-13-22-2)20-11-9-19(10-12-20)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyPKLKHCZCSPLQIL-OAHLLOKOSA-N
XLogP0.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507244
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide (CID 9275184) is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is PKLKHCZCSPLQIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-15(17(21)18-8-13-22-2)20-11-9-19(10-12-20)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 9275184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).