1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea

C22H25N5O3 — CID 46393180

IUPAC1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCOc1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-26-18-9-5-3-7-16(18)24-20(21(26)28)27-13-11-15(12-14-27)23-22(29)25-17-8-4-6-10-19(17)30-2/h3-10,15H,11-14H2,1-2H3,(H2,23,25,29)
InChIKeyRLEQRQWNUITZTH-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea

1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea (PubChem CID 46393180) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
PubChem CID46393180
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCOc1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-26-18-9-5-3-7-16(18)24-20(21(26)28)27-13-11-15(12-14-27)23-22(29)25-17-8-4-6-10-19(17)30-2/h3-10,15H,11-14H2,1-2H3,(H2,23,25,29)
InChIKeyRLEQRQWNUITZTH-UHFFFAOYSA-N
XLogP2.73
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393118
1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393184
1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837429
ethyl 3-[[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]carbamoylamino]benzoate
CID 46393187
1-(2-methylphenyl)-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837512
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781259
1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837447
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea (CID 46393180) is 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea is COc1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The InChIKey is RLEQRQWNUITZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-26-18-9-5-3-7-16(18)24-20(21(26)28)27-13-11-15(12-14-27)23-22(29)25-17-8-4-6-10-19(17)30-2/h3-10,15H,11-14H2,1-2H3,(H2,23,25,29).
What are the key properties of 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea has a molecular weight of 407.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 46393180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).