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

C29H33N3O2 — CID 11676873

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1
InChIInChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33)
InChIKeyZZFIFEVVRSMBSF-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.60
Rot. Bonds8

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

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide (PubChem CID 11676873) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
PubChem CID11676873
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1
InChIInChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33)
InChIKeyZZFIFEVVRSMBSF-UHFFFAOYSA-N
XLogP4.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.60
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]-9H-fluorene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide (CID 11676873) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
The InChIKey is ZZFIFEVVRSMBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 4.60, 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]-9H-fluorene-2-carboxamide is sourced from PubChem (CID 11676873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).