N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C27H36N4O3 — CID 34250927

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)c1
InChIInChI=1S/C27H36N4O3/c1-22-6-4-7-24(20-22)30-18-16-29(17-19-30)14-3-2-13-28-26(32)21-34-25-11-9-23(10-12-25)31-15-5-8-27(31)33/h4,6-7,9-12,20H,2-3,5,8,13-19,21H2,1H3,(H,28,32)
InChIKeyRKQIGZSUARVHAN-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.22
Rot. Bonds10

About N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 34250927) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID34250927
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)c1
InChIInChI=1S/C27H36N4O3/c1-22-6-4-7-24(20-22)30-18-16-29(17-19-30)14-3-2-13-28-26(32)21-34-25-11-9-23(10-12-25)31-15-5-8-27(31)33/h4,6-7,9-12,20H,2-3,5,8,13-19,21H2,1H3,(H,28,32)
InChIKeyRKQIGZSUARVHAN-UHFFFAOYSA-N
XLogP3.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27838911
2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39303950

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 34250927) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is Cc1cccc(N2CCN(CCCCNC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is RKQIGZSUARVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-22-6-4-7-24(20-22)30-18-16-29(17-19-30)14-3-2-13-28-26(32)21-34-25-11-9-23(10-12-25)31-15-5-8-27(31)33/h4,6-7,9-12,20H,2-3,5,8,13-19,21H2,1H3,(H,28,32).
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 464.61 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 34250927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).