(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide

C23H31N3O2 — CID 39301136

IUPAC(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-20(28-19-22-10-6-3-7-11-22)23(27)24-12-13-25-14-16-26(17-15-25)18-21-8-4-2-5-9-21/h2-11,20H,12-19H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyFYVASHMSQABZNI-HXUWFJFHSA-N
MW381.52 g/mol
LogP2.53
Rot. Bonds9

About (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide

(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide (PubChem CID 39301136) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
PubChem CID39301136
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-20(28-19-22-10-6-3-7-11-22)23(27)24-12-13-25-14-16-26(17-15-25)18-21-8-4-2-5-9-21/h2-11,20H,12-19H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyFYVASHMSQABZNI-HXUWFJFHSA-N
XLogP2.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-phenylmethoxypropanamide
CID 47028899
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(4-benzylpiperazin-1-yl)acetate
CID 95635747
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892815
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
CID 98774084

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide (CID 39301136) is (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide is C[C@@H](OCc1ccccc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is FYVASHMSQABZNI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-20(28-19-22-10-6-3-7-11-22)23(27)24-12-13-25-14-16-26(17-15-25)18-21-8-4-2-5-9-21/h2-11,20H,12-19H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide?
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 381.52 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 39301136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).