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

C32H36FN3O4 — CID 19690046

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCOc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C32H36FN3O4/c1-22(2)31(38)34-27-14-10-25(11-15-27)32(39)36(28-6-4-5-7-29(28)40-3)21-20-35-18-16-24(17-19-35)30(37)23-8-12-26(33)13-9-23/h4-15,22,24H,16-21H2,1-3H3,(H,34,38)
InChIKeyFQHRLTSQANTIKQ-UHFFFAOYSA-N
MW545.66 g/mol
LogP5.67
Rot. Bonds10

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

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 19690046) has the molecular formula C32H36FN3O4 and a molecular weight of 545.66 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide
PubChem CID19690046
Molecular FormulaC32H36FN3O4
Molecular Weight545.66 g/mol
Exact Mass545.27
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCOc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C32H36FN3O4/c1-22(2)31(38)34-27-14-10-25(11-15-27)32(39)36(28-6-4-5-7-29(28)40-3)21-20-35-18-16-24(17-19-35)30(37)23-8-12-26(33)13-9-23/h4-15,22,24H,16-21H2,1-3H3,(H,34,38)
InChIKeyFQHRLTSQANTIKQ-UHFFFAOYSA-N
XLogP5.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.66
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl-(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 19689836
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide
CID 19689967
4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide;but-2-enedioic acid
CID 67672592
4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 19689800
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid
CID 19689966
4-[(dimethylamino)methyl]-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide;oxalic acid
CID 19690033
4-[carbamothioyl(ethyl)amino]-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide
CID 22356987
4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide
CID 19689916
4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide
CID 19689829
4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 19689814
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide (CID 19690046) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide is COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is FQHRLTSQANTIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O4/c1-22(2)31(38)34-27-14-10-25(11-15-27)32(39)36(28-6-4-5-7-29(28)40-3)21-20-35-18-16-24(17-19-35)30(37)23-8-12-26(33)13-9-23/h4-15,22,24H,16-21H2,1-3H3,(H,34,38).
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 545.66 g/mol, XLogP of 5.67, 10 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-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 19690046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).