1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide

C22H22Cl2FN3O3 — CID 24717415

IUPAC1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22Cl2FN3O3/c23-18-6-3-16(13-19(18)24)22(31)28-11-7-15(8-12-28)21(30)27-10-9-26-20(29)14-1-4-17(25)5-2-14/h1-6,13,15H,7-12H2,(H,26,29)(H,27,30)
InChIKeyVOLFPTAMGJZKQR-UHFFFAOYSA-N
MW466.34 g/mol
LogP3.53
Rot. Bonds6

About 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide

1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 24717415) has the molecular formula C22H22Cl2FN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
PubChem CID24717415
Molecular FormulaC22H22Cl2FN3O3
Molecular Weight466.34 g/mol
Exact Mass465.10
IUPAC Name1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22Cl2FN3O3/c23-18-6-3-16(13-19(18)24)22(31)28-11-7-15(8-12-28)21(30)27-10-9-26-20(29)14-1-4-17(25)5-2-14/h1-6,13,15H,7-12H2,(H,26,29)(H,27,30)
InChIKeyVOLFPTAMGJZKQR-UHFFFAOYSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
CID 121062566
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 78868268
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 78867709

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide (CID 24717415) is 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide is O=C(NCCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is VOLFPTAMGJZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FN3O3/c23-18-6-3-16(13-19(18)24)22(31)28-11-7-15(8-12-28)21(30)27-10-9-26-20(29)14-1-4-17(25)5-2-14/h1-6,13,15H,7-12H2,(H,26,29)(H,27,30).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 24717415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).