N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide

C29H33N3O3 — CID 25141533

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1
InChIInChI=1S/C29H33N3O3/c1-35-28-9-5-4-8-27(28)32-16-14-31(15-17-32)20-24(33)12-13-30-29(34)22-10-11-26-23(19-22)18-21-6-2-3-7-25(21)26/h2-11,19,24,33H,12-18,20H2,1H3,(H,30,34)
InChIKeyTUZMIWVHPWQEBK-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.57
Rot. Bonds8

About N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide (PubChem CID 25141533) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
PubChem CID25141533
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1
InChIInChI=1S/C29H33N3O3/c1-35-28-9-5-4-8-27(28)32-16-14-31(15-17-32)20-24(33)12-13-30-29(34)22-10-11-26-23(19-22)18-21-6-2-3-7-25(21)26/h2-11,19,24,33H,12-18,20H2,1H3,(H,30,34)
InChIKeyTUZMIWVHPWQEBK-UHFFFAOYSA-N
XLogP3.57
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide (CID 25141533) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide is COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
The InChIKey is TUZMIWVHPWQEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-35-28-9-5-4-8-27(28)32-16-14-31(15-17-32)20-24(33)12-13-30-29(34)22-10-11-26-23(19-22)18-21-6-2-3-7-25(21)26/h2-11,19,24,33H,12-18,20H2,1H3,(H,30,34).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide is sourced from PubChem (CID 25141533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).