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

C21H22ClN5O2 — CID 46393184

IUPAC1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H22ClN5O2/c1-26-18-8-3-2-7-17(18)25-19(20(26)28)27-11-9-15(10-12-27)23-21(29)24-16-6-4-5-14(22)13-16/h2-8,13,15H,9-12H2,1H3,(H2,23,24,29)
InChIKeyZPXZRFJWNCFMRL-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.38
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea (PubChem CID 46393184) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
PubChem CID46393184
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H22ClN5O2/c1-26-18-8-3-2-7-17(18)25-19(20(26)28)27-11-9-15(10-12-27)23-21(29)24-16-6-4-5-14(22)13-16/h2-8,13,15H,9-12H2,1H3,(H2,23,24,29)
InChIKeyZPXZRFJWNCFMRL-UHFFFAOYSA-N
XLogP3.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea with MolForge

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Related Compounds

ethyl 3-[[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]carbamoylamino]benzoate
CID 46393187
1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393180
1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837447
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837429
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
CID 53070305
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
1-(2-methylphenyl)-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837512

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea (CID 46393184) is 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea is Cn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The InChIKey is ZPXZRFJWNCFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-26-18-8-3-2-7-17(18)25-19(20(26)28)27-11-9-15(10-12-27)23-21(29)24-16-6-4-5-14(22)13-16/h2-8,13,15H,9-12H2,1H3,(H2,23,24,29).
What are the key properties of 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea has a molecular weight of 411.89 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 46393184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).