N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide

C25H35N3O2 — CID 15050924

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C25H35N3O2/c1-30-24-14-6-5-13-23(24)28-20-18-27(19-21-28)17-8-7-16-26-25(29)15-9-12-22-10-3-2-4-11-22/h2-6,10-11,13-14H,7-9,12,15-21H2,1H3,(H,26,29)
InChIKeyOGAWEZWHCWLAJP-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.74
Rot. Bonds11

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide (PubChem CID 15050924) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide
PubChem CID15050924
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C25H35N3O2/c1-30-24-14-6-5-13-23(24)28-20-18-27(19-21-28)17-8-7-16-26-25(29)15-9-12-22-10-3-2-4-11-22/h2-6,10-11,13-14H,7-9,12,15-21H2,1H3,(H,26,29)
InChIKeyOGAWEZWHCWLAJP-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide (CID 15050924) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide is COc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide?
The InChIKey is OGAWEZWHCWLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-30-24-14-6-5-13-23(24)28-20-18-27(19-21-28)17-8-7-16-26-25(29)15-9-12-22-10-3-2-4-11-22/h2-6,10-11,13-14H,7-9,12,15-21H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide has a molecular weight of 409.57 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbutanamide is sourced from PubChem (CID 15050924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).