N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide

C21H27N3O2 — CID 574794

IUPAC3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3
InChIInChI=1S/C21H27N3O2/c1-23-13-15-24(16-14-23)12-11-21(25)22-19-7-9-20(10-8-19)26-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyQDHWKZCTLTYUPR-UHFFFAOYSA-N
MW353.50 g/mol
LogP2.30
Rot. Bonds7

About N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide

N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide (PubChem CID 574794) has the molecular formula C21H27N3O2 and a molecular weight of 353.50 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide
PubChem CID574794
Molecular FormulaC21H27N3O2
Molecular Weight353.50 g/mol
Exact Mass353.21
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3
InChIInChI=1S/C21H27N3O2/c1-23-13-15-24(16-14-23)12-11-21(25)22-19-7-9-20(10-8-19)26-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyQDHWKZCTLTYUPR-UHFFFAOYSA-N
XLogP2.30
TPSA44.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity409

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Ucm 765
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CID 24763223
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Frequently Asked Questions

What is the IUPAC name of N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide?
The IUPAC name of N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide (CID 574794) is 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide?
The canonical SMILES for N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide is CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3.
What is the InChIKey of N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide?
The InChIKey is QDHWKZCTLTYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-13-15-24(16-14-23)12-11-21(25)22-19-7-9-20(10-8-19)26-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide?
N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide has a molecular weight of 353.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-Benzyloxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide is sourced from PubChem (CID 574794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).