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

C22H29N3O — CID 1439293

IUPAC(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-19(22(26)23-13-12-20-8-4-2-5-9-20)25-16-14-24(15-17-25)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyLIUNSKWFJFXONS-LJQANCHMSA-N
MW351.49 g/mol
LogP2.55
Rot. Bonds7

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

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide (PubChem CID 1439293) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
PubChem CID1439293
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-19(22(26)23-13-12-20-8-4-2-5-9-20)25-16-14-24(15-17-25)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyLIUNSKWFJFXONS-LJQANCHMSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
CID 15309004
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(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-phenylethyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide (CID 1439293) is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide is C[C@H](C(=O)NCCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is LIUNSKWFJFXONS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O/c1-19(22(26)23-13-12-20-8-4-2-5-9-20)25-16-14-24(15-17-25)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide?
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 1439293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).