3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide

C22H27N3O3 — CID 110422037

IUPAC3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccc(OCC(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-18-7-9-20(10-8-18)28-17-22(27)25-15-13-24(14-16-25)12-11-21(26)23-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyAZPKAKFDRTXOSC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.55
Rot. Bonds7

About 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide

3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide (PubChem CID 110422037) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
PubChem CID110422037
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccc(OCC(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-18-7-9-20(10-8-18)28-17-22(27)25-15-13-24(14-16-25)12-11-21(26)23-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyAZPKAKFDRTXOSC-UHFFFAOYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 78896184
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
1-[4-(3-methylbutyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113075017
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide (CID 110422037) is 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide is Cc1ccc(OCC(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is AZPKAKFDRTXOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-18-7-9-20(10-8-18)28-17-22(27)25-15-13-24(14-16-25)12-11-21(26)23-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide?
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 381.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 110422037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).