N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride

C32H32ClN3O2 — CID 19366294

IUPACN-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C32H31N3O2.ClH/c36-31-28-12-4-3-11-26(28)27-15-14-24(22-29(27)31)32(37)33-16-5-6-17-34-18-20-35(21-19-34)30-13-7-9-23-8-1-2-10-25(23)30;/h1-4,7-15,22H,5-6,16-21H2,(H,33,37);1H
InChIKeyOYTMJBZPNHIJKL-UHFFFAOYSA-N
MW526.08 g/mol
LogP5.81
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride

N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride (PubChem CID 19366294) has the molecular formula C32H32ClN3O2 and a molecular weight of 526.08 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride
PubChem CID19366294
Molecular FormulaC32H32ClN3O2
Molecular Weight526.08 g/mol
Exact Mass525.22
IUPAC NameN-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C32H31N3O2.ClH/c36-31-28-12-4-3-11-26(28)27-15-14-24(22-29(27)31)32(37)33-16-5-6-17-34-18-20-35(21-19-34)30-13-7-9-23-8-1-2-10-25(23)30;/h1-4,7-15,22H,5-6,16-21H2,(H,33,37);1H
InChIKeyOYTMJBZPNHIJKL-UHFFFAOYSA-N
XLogP5.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.08
LogP ≤ 55.81
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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Related Compounds

9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153
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N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
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N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;dihydrochloride
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2-methyl-3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
CID 130182218
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-9-oxofluorene-2-carboxamide
CID 86944761
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CID 10874342
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-fluorene-2-carboxamide
CID 15463155
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CID 24783746
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride (CID 19366294) is N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride is Cl.O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride?
The InChIKey is OYTMJBZPNHIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2.ClH/c36-31-28-12-4-3-11-26(28)27-15-14-24(22-29(27)31)32(37)33-16-5-6-17-34-18-20-35(21-19-34)30-13-7-9-23-8-1-2-10-25(23)30;/h1-4,7-15,22H,5-6,16-21H2,(H,33,37);1H.
What are the key properties of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride?
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride has a molecular weight of 526.08 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 19366294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).