3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide

C29H31N3O3 — CID 67614035

IUPAC3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide
SMILESCCCCc1c(C(N)=O)c(N2CCNCC2)c2c(c1-c1ccccc1OC)-c1ccccc1C2=O
InChIInChI=1S/C29H31N3O3/c1-3-4-9-21-23(20-12-7-8-13-22(20)35-2)24-18-10-5-6-11-19(18)28(33)26(24)27(25(21)29(30)34)32-16-14-31-15-17-32/h5-8,10-13,31H,3-4,9,14-17H2,1-2H3,(H2,30,34)
InChIKeyIRSWGDHBYZWKMF-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.42
Rot. Bonds7

About 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide

3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide (PubChem CID 67614035) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide.

Molecular Properties

Compound Name3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide
PubChem CID67614035
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide
SMILESCCCCc1c(C(N)=O)c(N2CCNCC2)c2c(c1-c1ccccc1OC)-c1ccccc1C2=O
InChIInChI=1S/C29H31N3O3/c1-3-4-9-21-23(20-12-7-8-13-22(20)35-2)24-18-10-5-6-11-19(18)28(33)26(24)27(25(21)29(30)34)32-16-14-31-15-17-32/h5-8,10-13,31H,3-4,9,14-17H2,1-2H3,(H2,30,34)
InChIKeyIRSWGDHBYZWKMF-UHFFFAOYSA-N
XLogP4.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide?
The IUPAC name of 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide (CID 67614035) is 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide.
What is the SMILES notation for 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide?
The canonical SMILES for 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide is CCCCc1c(C(N)=O)c(N2CCNCC2)c2c(c1-c1ccccc1OC)-c1ccccc1C2=O.
What is the InChIKey of 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide?
The InChIKey is IRSWGDHBYZWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-3-4-9-21-23(20-12-7-8-13-22(20)35-2)24-18-10-5-6-11-19(18)28(33)26(24)27(25(21)29(30)34)32-16-14-31-15-17-32/h5-8,10-13,31H,3-4,9,14-17H2,1-2H3,(H2,30,34).
What are the key properties of 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide?
3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide is sourced from PubChem (CID 67614035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).