1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea

C14H22N4O3 — CID 972041

IUPAC1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1ccc(NC(=O)NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C14H22N4O3/c1-17-6-8-18(9-7-17)16-14(19)15-11-4-5-12(20-2)13(10-11)21-3/h4-5,10H,6-9H2,1-3H3,(H2,15,16,19)
InChIKeyVUGUJFCTTCTVEB-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.99
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea

1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea (PubChem CID 972041) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
PubChem CID972041
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1ccc(NC(=O)NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C14H22N4O3/c1-17-6-8-18(9-7-17)16-14(19)15-11-4-5-12(20-2)13(10-11)21-3/h4-5,10H,6-9H2,1-3H3,(H2,15,16,19)
InChIKeyVUGUJFCTTCTVEB-UHFFFAOYSA-N
XLogP0.99
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea (CID 972041) is 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea is COc1ccc(NC(=O)NN2CCN(C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is VUGUJFCTTCTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-6-8-18(9-7-17)16-14(19)15-11-4-5-12(20-2)13(10-11)21-3/h4-5,10H,6-9H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 294.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 972041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).