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

C21H33N3O2 — CID 10451105

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H,22,25)
InChIKeyCFBQXKZORDHMFE-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.90
Rot. Bonds8

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

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide (PubChem CID 10451105) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
PubChem CID10451105
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H,22,25)
InChIKeyCFBQXKZORDHMFE-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.90
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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Related Compounds

N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 74440930
1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 75051240
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide (CID 10451105) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide is COc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide?
The InChIKey is CFBQXKZORDHMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.90, 8 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]cyclopentanecarboxamide is sourced from PubChem (CID 10451105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).