4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide

C30H32FN3O3 — CID 19689916

IUPAC4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(C)c2)cc1
InChIInChI=1S/C30H32FN3O3/c1-21-4-3-5-28(20-21)34(30(37)25-8-12-27(13-9-25)32-22(2)35)19-18-33-16-14-24(15-17-33)29(36)23-6-10-26(31)11-7-23/h3-13,20,24H,14-19H2,1-2H3,(H,32,35)
InChIKeyRCOXUVNKLQIZSO-UHFFFAOYSA-N
MW501.60 g/mol
LogP5.33
Rot. Bonds8

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

4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide (PubChem CID 19689916) has the molecular formula C30H32FN3O3 and a molecular weight of 501.60 g/mol. Its IUPAC name is 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide
PubChem CID19689916
Molecular FormulaC30H32FN3O3
Molecular Weight501.60 g/mol
Exact Mass501.24
IUPAC Name4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(C)c2)cc1
InChIInChI=1S/C30H32FN3O3/c1-21-4-3-5-28(20-21)34(30(37)25-8-12-27(13-9-25)32-22(2)35)19-18-33-16-14-24(15-17-33)29(36)23-6-10-26(31)11-7-23/h3-13,20,24H,14-19H2,1-2H3,(H,32,35)
InChIKeyRCOXUVNKLQIZSO-UHFFFAOYSA-N
XLogP5.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 19689814
4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylsulfanylphenyl)benzamide;(E)-but-2-enedioic acid
CID 19689853
4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide;but-2-enedioic acid
CID 67670667
4-acetamido-N-(6-chloro-3-pyridinyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 139760466
4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 19689800
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
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-yl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 19689922
N-[2-(4-benzoylpiperidin-1-yl)ethyl]-4-[(4-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 139760427
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide
CID 67670711
ethyl N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl-(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 19689836
4-benzamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide;(E)-but-2-enedioic acid
CID 19689998

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide (CID 19689916) is 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide is CC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(C)c2)cc1.
What is the InChIKey of 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide?
The InChIKey is RCOXUVNKLQIZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O3/c1-21-4-3-5-28(20-21)34(30(37)25-8-12-27(13-9-25)32-22(2)35)19-18-33-16-14-24(15-17-33)29(36)23-6-10-26(31)11-7-23/h3-13,20,24H,14-19H2,1-2H3,(H,32,35).
What are the key properties of 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide?
4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide has a molecular weight of 501.60 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 19689916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).