5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one

C42H56N2O2 — CID 515689

IUPAC5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one
SMILESCCCC1CCN(CCCCC(=O)c2ccc3c(c2)-c2ccc(C(=O)CCCCN4CCC(CCC)CC4)c4cccc-3c24)CC1
InChIInChI=1S/C42H56N2O2/c1-3-10-31-20-26-43(27-21-31)24-7-5-14-40(45)33-16-17-34-36-12-9-13-37-35(18-19-38(42(36)37)39(34)30-33)41(46)15-6-8-25-44-28-22-32(11-4-2)23-29-44/h9,12-13,16-19,30-32H,3-8,10-11,14-15,20-29H2,1-2H3
InChIKeyGJRYKPMCWUMKFY-UHFFFAOYSA-N
MW620.92 g/mol
LogP10.22
Rot. Bonds16

About 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one

5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one (PubChem CID 515689) has the molecular formula C42H56N2O2 and a molecular weight of 620.92 g/mol. Its IUPAC name is 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one.

Molecular Properties

Compound Name5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one
PubChem CID515689
Molecular FormulaC42H56N2O2
Molecular Weight620.92 g/mol
Exact Mass620.43
IUPAC Name5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one
SMILESCCCC1CCN(CCCCC(=O)c2ccc3c(c2)-c2ccc(C(=O)CCCCN4CCC(CCC)CC4)c4cccc-3c24)CC1
InChIInChI=1S/C42H56N2O2/c1-3-10-31-20-26-43(27-21-31)24-7-5-14-40(45)33-16-17-34-36-12-9-13-37-35(18-19-38(42(36)37)39(34)30-33)41(46)15-6-8-25-44-28-22-32(11-4-2)23-29-44/h9,12-13,16-19,30-32H,3-8,10-11,14-15,20-29H2,1-2H3
InChIKeyGJRYKPMCWUMKFY-UHFFFAOYSA-N
XLogP10.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.92
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-[4-[5-(3-azabicyclo[3.2.2]nonan-3-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one
CID 515692
4-pyrrol-1-yl-1-[4-(4-pyrrol-1-ylbutanoyl)fluoranthen-8-yl]butan-1-one
CID 20598573
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
fluoranthene-3,8-dicarboxylic acid
CID 12521258
4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
CID 18626360
4-(4-butylpiperidin-1-yl)-1-(2-chlorophenyl)butan-1-one
CID 57005847
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
1-[(9Z)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
CID 101025623
1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
CID 15475042
1-[(9Z)-9-(2-octadecanoylfluoren-9-ylidene)fluoren-2-yl]octadecan-1-one
CID 11251489

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one?
The IUPAC name of 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one (CID 515689) is 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one.
What is the SMILES notation for 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one?
The canonical SMILES for 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one is CCCC1CCN(CCCCC(=O)c2ccc3c(c2)-c2ccc(C(=O)CCCCN4CCC(CCC)CC4)c4cccc-3c24)CC1.
What is the InChIKey of 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one?
The InChIKey is GJRYKPMCWUMKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56N2O2/c1-3-10-31-20-26-43(27-21-31)24-7-5-14-40(45)33-16-17-34-36-12-9-13-37-35(18-19-38(42(36)37)39(34)30-33)41(46)15-6-8-25-44-28-22-32(11-4-2)23-29-44/h9,12-13,16-19,30-32H,3-8,10-11,14-15,20-29H2,1-2H3.
What are the key properties of 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one?
5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one has a molecular weight of 620.92 g/mol, XLogP of 10.22, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one is sourced from PubChem (CID 515689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).