2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide

C23H31N3O2 — CID 15309004

IUPAC2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)C(CCO)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c27-18-12-22(23(28)24-13-11-20-7-3-1-4-8-20)26-16-14-25(15-17-26)19-21-9-5-2-6-10-21/h1-10,22,27H,11-19H2,(H,24,28)
InChIKeyJPZMOXDMKJVBGO-UHFFFAOYSA-N
MW381.52 g/mol
LogP1.91
Rot. Bonds9

About 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide

2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide (PubChem CID 15309004) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
PubChem CID15309004
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)C(CCO)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c27-18-12-22(23(28)24-13-11-20-7-3-1-4-8-20)26-16-14-25(15-17-26)19-21-9-5-2-6-10-21/h1-10,22,27H,11-19H2,(H,24,28)
InChIKeyJPZMOXDMKJVBGO-UHFFFAOYSA-N
XLogP1.91
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)pentanehydrazide
CID 83052064
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-[4,10-bis(carboxymethyl)-7-[1-(2-hydroxyethylamino)-1-oxo-3-phenylmethoxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 54046893

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide (CID 15309004) is 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide is O=C(NCCc1ccccc1)C(CCO)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide?
The InChIKey is JPZMOXDMKJVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-18-12-22(23(28)24-13-11-20-7-3-1-4-8-20)26-16-14-25(15-17-26)19-21-9-5-2-6-10-21/h1-10,22,27H,11-19H2,(H,24,28).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide?
2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide has a molecular weight of 381.52 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 15309004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).