1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea

C17H27FN4O2 — CID 110922301

IUPAC1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NC(C)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H27FN4O2/c1-12(11-23)19-17(24)20-13(2)15-10-14(18)4-5-16(15)22-8-6-21(3)7-9-22/h4-5,10,12-13,23H,6-9,11H2,1-3H3,(H2,19,20,24)
InChIKeyKJSYWCBDSUZAFL-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.32
Rot. Bonds5

About 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea

1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110922301) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110922301
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NC(C)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H27FN4O2/c1-12(11-23)19-17(24)20-13(2)15-10-14(18)4-5-16(15)22-8-6-21(3)7-9-22/h4-5,10,12-13,23H,6-9,11H2,1-3H3,(H2,19,20,24)
InChIKeyKJSYWCBDSUZAFL-UHFFFAOYSA-N
XLogP1.32
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)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

N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
CID 94816152
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-methylsulfonylpropan-2-amine
CID 136520496
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-imidazol-1-ylpropanamide
CID 95302428
(2S,4S)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperidine-4-carboxamide
CID 120635063
(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
CID 97322165
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 86877247

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea (CID 110922301) is 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NC(C)c1cc(F)ccc1N1CCN(C)CC1.
What is the InChIKey of 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is KJSYWCBDSUZAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-12(11-23)19-17(24)20-13(2)15-10-14(18)4-5-16(15)22-8-6-21(3)7-9-22/h4-5,10,12-13,23H,6-9,11H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea?
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 338.43 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110922301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).