4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide

C28H31FN4O2 — CID 19690032

IUPAC4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide
SMILESCCNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1
InChIInChI=1S/C28H31FN4O2/c1-2-31-25-11-7-23(8-12-25)28(35)33(26-4-3-15-30-20-26)19-18-32-16-13-22(14-17-32)27(34)21-5-9-24(29)10-6-21/h3-12,15,20,22,31H,2,13-14,16-19H2,1H3
InChIKeyFEPAWHHVOMTMHN-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.89
Rot. Bonds9

About 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide

4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide (PubChem CID 19690032) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide
PubChem CID19690032
Molecular FormulaC28H31FN4O2
Molecular Weight474.58 g/mol
Exact Mass474.24
IUPAC Name4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide
SMILESCCNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1
InChIInChI=1S/C28H31FN4O2/c1-2-31-25-11-7-23(8-12-25)28(35)33(26-4-3-15-30-20-26)19-18-32-16-13-22(14-17-32)27(34)21-5-9-24(29)10-6-21/h3-12,15,20,22,31H,2,13-14,16-19H2,1H3
InChIKeyFEPAWHHVOMTMHN-UHFFFAOYSA-N
XLogP4.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide 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

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
(E)-but-2-enedioic acid;bis(N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(pentanoylamino)-N-pyridin-3-ylbenzamide)
CID 131720571
4-benzamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide;(E)-but-2-enedioic acid
CID 19689998
but-2-enedioic acid;N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-yl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 173320195
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-(pentylamino)benzamide
CID 67670711
4-acetamido-N-(6-chloro-3-pyridinyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
CID 139760466
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide (CID 19690032) is 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide is CCNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1.
What is the InChIKey of 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide?
The InChIKey is FEPAWHHVOMTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2/c1-2-31-25-11-7-23(8-12-25)28(35)33(26-4-3-15-30-20-26)19-18-32-16-13-22(14-17-32)27(34)21-5-9-24(29)10-6-21/h3-12,15,20,22,31H,2,13-14,16-19H2,1H3.
What are the key properties of 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide?
4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide has a molecular weight of 474.58 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 19690032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).