3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide

C21H27N3O2 — CID 574794

IUPAC3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
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
MW353.47 g/mol
LogP2.84
Rot. Bonds7

About 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide

3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 574794) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID574794
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
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
XLogP2.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
CID 108944636
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide (CID 574794) is 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide is CN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
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 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 574794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).