1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea

C16H18ClN5O2 — CID 71992448

IUPAC1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NC2CCCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C16H18ClN5O2/c1-21-10-8-14(20-21)19-16(24)18-12-6-4-9-22(15(12)23)13-7-3-2-5-11(13)17/h2-3,5,7-8,10,12H,4,6,9H2,1H3,(H2,18,19,20,24)
InChIKeyLJLKGUIAIBWPIO-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.39
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea

1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 71992448) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID71992448
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NC2CCCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C16H18ClN5O2/c1-21-10-8-14(20-21)19-16(24)18-12-6-4-9-22(15(12)23)13-7-3-2-5-11(13)17/h2-3,5,7-8,10,12H,4,6,9H2,1H3,(H2,18,19,20,24)
InChIKeyLJLKGUIAIBWPIO-UHFFFAOYSA-N
XLogP2.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
N-(3-fluorophenyl)-N'-[1-(1-glycylpiperidin-4-yl)-1H-pyrazol-5-yl]urea
CID 56746746
1-(2-Chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 24819474
1-(2-Chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45229369
N-(2-chlorophenyl)-N'-{1-[1-(1,4-dimethyl-4-penten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 45244326
N-(2-chlorophenyl)-N'-{1-[1-(1,3-dimethylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 45252754
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide
CID 47068722
N-[1-(1-D-alanylpiperidin-4-yl)-1H-pyrazol-5-yl]-N'-(3-fluorophenyl)urea
CID 56747885
N-[1-(1-L-alanylpiperidin-4-yl)-1H-pyrazol-5-yl]-N'-(3-fluorophenyl)urea
CID 56753158
4-(3-chlorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56761915
4-(4-chlorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56763155
1-[1-(2-Chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 71870393

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea (CID 71992448) is 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)NC2CCCN(c3ccccc3Cl)C2=O)n1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is LJLKGUIAIBWPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-21-10-8-14(20-21)19-16(24)18-12-6-4-9-22(15(12)23)13-7-3-2-5-11(13)17/h2-3,5,7-8,10,12H,4,6,9H2,1H3,(H2,18,19,20,24).
What are the key properties of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea?
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 347.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 71992448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).