N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide

C29H31N3O3 — CID 10874342

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1
InChIInChI=1S/C29H31N3O3/c1-35-26-14-5-4-13-25(26)32-19-17-31(18-20-32)16-7-6-15-30-29(34)24-12-8-11-23-27(24)21-9-2-3-10-22(21)28(23)33/h2-5,8-14H,6-7,15-20H2,1H3,(H,30,34)
InChIKeyVUDZLQDQARJUEH-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.24
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide (PubChem CID 10874342) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
PubChem CID10874342
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1
InChIInChI=1S/C29H31N3O3/c1-35-26-14-5-4-13-25(26)32-19-17-31(18-20-32)16-7-6-15-30-29(34)24-12-8-11-23-27(24)21-9-2-3-10-22(21)28(23)33/h2-5,8-14H,6-7,15-20H2,1H3,(H,30,34)
InChIKeyVUDZLQDQARJUEH-UHFFFAOYSA-N
XLogP4.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.24
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

2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
CID 11504230
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide (CID 10874342) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide?
The InChIKey is VUDZLQDQARJUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-35-26-14-5-4-13-25(26)32-19-17-31(18-20-32)16-7-6-15-30-29(34)24-12-8-11-23-27(24)21-9-2-3-10-22(21)28(23)33/h2-5,8-14H,6-7,15-20H2,1H3,(H,30,34).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide is sourced from PubChem (CID 10874342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).