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

C15H22ClN3O3S — CID 51130150

IUPAC1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
SMILESCS(=O)(=O)N1CCC(CNC(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-23(21,22)19-8-6-12(7-9-19)10-17-15(20)18-11-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H2,17,18,20)
InChIKeyYWNILDGVZFQIPL-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.81
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea (PubChem CID 51130150) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
PubChem CID51130150
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
SMILESCS(=O)(=O)N1CCC(CNC(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-23(21,22)19-8-6-12(7-9-19)10-17-15(20)18-11-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H2,17,18,20)
InChIKeyYWNILDGVZFQIPL-UHFFFAOYSA-N
XLogP1.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 23761916
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 51130146
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294858
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
2-(2-chlorophenyl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 91921417
1-(4-bromophenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1276465

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea (CID 51130150) is 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea is CS(=O)(=O)N1CCC(CNC(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
The InChIKey is YWNILDGVZFQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-23(21,22)19-8-6-12(7-9-19)10-17-15(20)18-11-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea has a molecular weight of 359.88 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 51130150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).