3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide

C15H23N3O — CID 3145287

IUPAC3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide
SMILESCCN1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-17-10-12-18(13-11-17)9-8-15(19)16-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,16,19)
InChIKeyWGFUNXCKFXXEAP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.65
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide

3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide (PubChem CID 3145287) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide
PubChem CID3145287
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide
SMILESCCN1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-17-10-12-18(13-11-17)9-8-15(19)16-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,16,19)
InChIKeyWGFUNXCKFXXEAP-UHFFFAOYSA-N
XLogP1.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide (CID 3145287) is 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide is CCN1CCN(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide?
The InChIKey is WGFUNXCKFXXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-17-10-12-18(13-11-17)9-8-15(19)16-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,16,19).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide?
3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 3145287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).