1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

C18H30N4O2 — CID 30739567

IUPAC1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O2/c1-14(2)17(22-11-9-21(3)10-12-22)13-19-18(23)20-15-5-7-16(24-4)8-6-15/h5-8,14,17H,9-13H2,1-4H3,(H2,19,20,23)/t17-/m0/s1
InChIKeyBXVHHXXMKAVGTJ-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.09
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea (PubChem CID 30739567) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
PubChem CID30739567
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O2/c1-14(2)17(22-11-9-21(3)10-12-22)13-19-18(23)20-15-5-7-16(24-4)8-6-15/h5-8,14,17H,9-13H2,1-4H3,(H2,19,20,23)/t17-/m0/s1
InChIKeyBXVHHXXMKAVGTJ-KRWDZBQOSA-N
XLogP2.09
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea with MolForge

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Related Compounds

1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 134040587
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(2-propan-2-ylphenyl)urea
CID 95594910
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 86986663
N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111182465
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylphenyl)urea
CID 16803373
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
CID 110403144
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 95570484
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 56813976
3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 110403154
1-(3,5-dimethoxyphenyl)-3-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 43957022

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea (CID 30739567) is 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea is COc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The InChIKey is BXVHHXXMKAVGTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)17(22-11-9-21(3)10-12-22)13-19-18(23)20-15-5-7-16(24-4)8-6-15/h5-8,14,17H,9-13H2,1-4H3,(H2,19,20,23)/t17-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea has a molecular weight of 334.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea is sourced from PubChem (CID 30739567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).