1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

C22H29N3O3S — CID 31989348

IUPAC1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCS(=O)(=O)N1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-29(27,28)25-16-13-20(14-17-25)24-22(26)23-15-12-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H2,23,24,26)
InChIKeyYFYKOTARIQQTFE-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.93
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 31989348) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID31989348
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCS(=O)(=O)N1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-29(27,28)25-16-13-20(14-17-25)24-22(26)23-15-12-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H2,23,24,26)
InChIKeyYFYKOTARIQQTFE-UHFFFAOYSA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55793416
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
CID 47016194
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
1-[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]-3-(3,3-diphenylpropyl)urea
CID 11628209
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-(1-methylsulfonylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)urea
CID 110706203
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 31989348) is 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea is CS(=O)(=O)N1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is YFYKOTARIQQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-29(27,28)25-16-13-20(14-17-25)24-22(26)23-15-12-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H2,23,24,26).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 415.56 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 31989348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).