N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C21H27FN4O3 — CID 34608906

IUPACN-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(CN1CCN(CCNC(=O)c2ccco2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C21H27FN4O3/c22-18-5-3-17(4-6-18)7-8-23-20(27)16-26-13-11-25(12-14-26)10-9-24-21(28)19-2-1-15-29-19/h1-6,15H,7-14,16H2,(H,23,27)(H,24,28)
InChIKeyVOJKMVZVXGTOCC-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.12
Rot. Bonds9

About N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 34608906) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID34608906
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC NameN-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(CN1CCN(CCNC(=O)c2ccco2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C21H27FN4O3/c22-18-5-3-17(4-6-18)7-8-23-20(27)16-26-13-11-25(12-14-26)10-9-24-21(28)19-2-1-15-29-19/h1-6,15H,7-14,16H2,(H,23,27)(H,24,28)
InChIKeyVOJKMVZVXGTOCC-UHFFFAOYSA-N
XLogP1.12
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-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

2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
CID 110389848
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34618260
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 34608906) is N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide is O=C(CN1CCN(CCNC(=O)c2ccco2)CC1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is VOJKMVZVXGTOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c22-18-5-3-17(4-6-18)7-8-23-20(27)16-26-13-11-25(12-14-26)10-9-24-21(28)19-2-1-15-29-19/h1-6,15H,7-14,16H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34608906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).