N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide

C33H40FN3O3 — CID 67670711

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide
SMILESCCCCCNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1
InChIInChI=1S/C33H40FN3O3/c1-3-4-5-19-35-29-15-11-27(12-16-29)33(39)37(30-7-6-8-31(24-30)40-2)23-22-36-20-17-26(18-21-36)32(38)25-9-13-28(34)14-10-25/h6-16,24,26,35H,3-5,17-23H2,1-2H3
InChIKeyCTSHSLMSHGSPMY-UHFFFAOYSA-N
MW545.70 g/mol
LogP6.68
Rot. Bonds13

About N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide (PubChem CID 67670711) has the molecular formula C33H40FN3O3 and a molecular weight of 545.70 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide
PubChem CID67670711
Molecular FormulaC33H40FN3O3
Molecular Weight545.70 g/mol
Exact Mass545.31
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide
SMILESCCCCCNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1
InChIInChI=1S/C33H40FN3O3/c1-3-4-5-19-35-29-15-11-27(12-16-29)33(39)37(30-7-6-8-31(24-30)40-2)23-22-36-20-17-26(18-21-36)32(38)25-9-13-28(34)14-10-25/h6-16,24,26,35H,3-5,17-23H2,1-2H3
InChIKeyCTSHSLMSHGSPMY-UHFFFAOYSA-N
XLogP6.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.70
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide
CID 19689829
4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide
CID 19690032
4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide
CID 19689916
4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 19689800
4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 19689814
[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697538
(E)-but-2-enedioic acid;bis(N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(pentanoylamino)-N-pyridin-3-ylbenzamide)
CID 131720571
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 19689834
4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylsulfanylphenyl)benzamide;(E)-but-2-enedioic acid
CID 19689853
4-amino-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(4-methoxyphenyl)benzamide;(E)-but-2-enedioic acid
CID 19690068
4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide;but-2-enedioic acid
CID 67670667
ethyl N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl-(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 19689836

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide (CID 67670711) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide is CCCCCNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide?
The InChIKey is CTSHSLMSHGSPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN3O3/c1-3-4-5-19-35-29-15-11-27(12-16-29)33(39)37(30-7-6-8-31(24-30)40-2)23-22-36-20-17-26(18-21-36)32(38)25-9-13-28(34)14-10-25/h6-16,24,26,35H,3-5,17-23H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide has a molecular weight of 545.70 g/mol, XLogP of 6.68, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide is sourced from PubChem (CID 67670711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).