1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea

C21H28FN3O2 — CID 52506587

IUPAC1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea
SMILESC[C@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)CN1CCCCC1
InChIInChI=1S/C21H28FN3O2/c1-16(15-25-11-5-2-6-12-25)13-23-21(26)24-14-17-9-10-20(27-17)18-7-3-4-8-19(18)22/h3-4,7-10,16H,2,5-6,11-15H2,1H3,(H2,23,24,26)/t16-/m1/s1
InChIKeyYLICWXUAKXZYHL-MRXNPFEDSA-N
MW373.47 g/mol
LogP4.01
Rot. Bonds7

About 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea (PubChem CID 52506587) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea
PubChem CID52506587
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea
SMILESC[C@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)CN1CCCCC1
InChIInChI=1S/C21H28FN3O2/c1-16(15-25-11-5-2-6-12-25)13-23-21(26)24-14-17-9-10-20(27-17)18-7-3-4-8-19(18)22/h3-4,7-10,16H,2,5-6,11-15H2,1H3,(H2,23,24,26)/t16-/m1/s1
InChIKeyYLICWXUAKXZYHL-MRXNPFEDSA-N
XLogP4.01
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea 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

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2S)-2-methyl-3-piperidin-1-ylpropyl]urea
CID 52506585
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55980917
(2R)-1-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3-morpholin-4-ylpropan-2-ol
CID 8024988
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-[(2S)-2-methyl-3-piperidin-1-ylpropyl]urea
CID 52503139
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 119122334
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111265892
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 166191449
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111505087
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea
CID 111110756

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea?
The IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea (CID 52506587) is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea?
The canonical SMILES for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea is C[C@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)CN1CCCCC1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea?
The InChIKey is YLICWXUAKXZYHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-16(15-25-11-5-2-6-12-25)13-23-21(26)24-14-17-9-10-20(27-17)18-7-3-4-8-19(18)22/h3-4,7-10,16H,2,5-6,11-15H2,1H3,(H2,23,24,26)/t16-/m1/s1.
What are the key properties of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea?
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea has a molecular weight of 373.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea is sourced from PubChem (CID 52506587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).