1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide

C19H26FN3O3 — CID 42878774

IUPAC1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O3/c1-2-3-17(24)23-12-8-15(9-13-23)19(26)22-11-10-21-18(25)14-4-6-16(20)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyZBNYKTNHGQKCKV-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.71
Rot. Bonds7

About 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide

1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 42878774) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
PubChem CID42878774
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O3/c1-2-3-17(24)23-12-8-15(9-13-23)19(26)22-11-10-21-18(25)14-4-6-16(20)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyZBNYKTNHGQKCKV-UHFFFAOYSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide 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-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 24717415
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119517736
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide (CID 42878774) is 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is ZBNYKTNHGQKCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-2-3-17(24)23-12-8-15(9-13-23)19(26)22-11-10-21-18(25)14-4-6-16(20)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide?
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42878774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).