3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide

C30H44N4O4 — CID 4085805

IUPAC3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCN2CCN(CCCNC(=O)CCc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C30H44N4O4/c1-37-27-11-5-25(6-12-27)9-15-29(35)31-17-3-19-33-21-23-34(24-22-33)20-4-18-32-30(36)16-10-26-7-13-28(38-2)14-8-26/h5-8,11-14H,3-4,9-10,15-24H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyXJJPSYWCMMLOCI-UHFFFAOYSA-N
MW524.71 g/mol
LogP2.90
Rot. Bonds16

About 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide

3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide (PubChem CID 4085805) has the molecular formula C30H44N4O4 and a molecular weight of 524.71 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
PubChem CID4085805
Molecular FormulaC30H44N4O4
Molecular Weight524.71 g/mol
Exact Mass524.34
IUPAC Name3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCN2CCN(CCCNC(=O)CCc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C30H44N4O4/c1-37-27-11-5-25(6-12-27)9-15-29(35)31-17-3-19-33-21-23-34(24-22-33)20-4-18-32-30(36)16-10-26-7-13-28(38-2)14-8-26/h5-8,11-14H,3-4,9-10,15-24H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyXJJPSYWCMMLOCI-UHFFFAOYSA-N
XLogP2.90
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.71
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide (CID 4085805) is 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide is COc1ccc(CCC(=O)NCCCN2CCN(CCCNC(=O)CCc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide?
The InChIKey is XJJPSYWCMMLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O4/c1-37-27-11-5-25(6-12-27)9-15-29(35)31-17-3-19-33-21-23-34(24-22-33)20-4-18-32-30(36)16-10-26-7-13-28(38-2)14-8-26/h5-8,11-14H,3-4,9-10,15-24H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide?
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide has a molecular weight of 524.71 g/mol, XLogP of 2.90, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 4085805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).