N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide

C22H29N3O2 — CID 109025748

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-7-19(8-10-21)11-13-23-22(26)12-14-24-15-17-25(18-16-24)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyRBQFEUINVUDTJS-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.57
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109025748) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109025748
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-7-19(8-10-21)11-13-23-22(26)12-14-24-15-17-25(18-16-24)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyRBQFEUINVUDTJS-UHFFFAOYSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide (CID 109025748) is N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide is COc1ccc(CCNC(=O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is RBQFEUINVUDTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-9-7-19(8-10-21)11-13-23-22(26)12-14-24-15-17-25(18-16-24)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109025748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).