1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea

C21H28N4O2 — CID 118781218

IUPAC1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea
SMILESCC(CNC(=O)Nc1cccc(Oc2ccccc2)c1)N1CCN(C)CC1
InChIInChI=1S/C21H28N4O2/c1-17(25-13-11-24(2)12-14-25)16-22-21(26)23-18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3,(H2,22,23,26)
InChIKeyUYKNTYXAASBVOP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea

1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea (PubChem CID 118781218) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea
PubChem CID118781218
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea
SMILESCC(CNC(=O)Nc1cccc(Oc2ccccc2)c1)N1CCN(C)CC1
InChIInChI=1S/C21H28N4O2/c1-17(25-13-11-24(2)12-14-25)16-22-21(26)23-18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3,(H2,22,23,26)
InChIKeyUYKNTYXAASBVOP-UHFFFAOYSA-N
XLogP3.24
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[2-(4-methylpiperazin-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 136571786
1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
CID 136571788
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylphenyl)urea
CID 16803373
1-[3-(2-methylphenyl)phenyl]-3-[3-(4-methylpiperazin-1-yl)butyl]urea
CID 118764189
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea (CID 118781218) is 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea is CC(CNC(=O)Nc1cccc(Oc2ccccc2)c1)N1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea?
The InChIKey is UYKNTYXAASBVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17(25-13-11-24(2)12-14-25)16-22-21(26)23-18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea?
1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea has a molecular weight of 368.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea is sourced from PubChem (CID 118781218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).