[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea

C21H25N3O3 — CID 2541146

IUPAC[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c22-20(26)23-15-19(25)24-13-11-18(12-14-24)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,27H,11-15H2,(H3,22,23,26)
InChIKeyUOYVMVBDVYRKKF-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.83
Rot. Bonds5

About [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea

[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 2541146) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID2541146
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c22-20(26)23-15-19(25)24-13-11-18(12-14-24)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,27H,11-15H2,(H3,22,23,26)
InChIKeyUOYVMVBDVYRKKF-UHFFFAOYSA-N
XLogP1.83
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Azacyclonol
CID 15723
1,1-Diphenyl-4-piperazin-1-ylbutan-1-ol;dihydrochloride
CID 49797395
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-piperazin-2-ylmethanone
CID 54587110
2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
4-hydroxy-N-methyl-4-phenyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579473
N-tert-Butyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
Cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 2561323
2-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 3228837
US9670210, Example 17 4-Phenyl-1-[(3-{[(trans-2-phenylcyclopropyl)amino]methyl}azetidin-1-yl)carbonyl]piperidin-4-ol
CID 118290835
Ketone, bromomethyl 4-(diphenylhydroxymethyl)piperidino
CID 8938

Frequently Asked Questions

What is the IUPAC name of [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea (CID 2541146) is [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is UOYVMVBDVYRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-20(26)23-15-19(25)24-13-11-18(12-14-24)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,27H,11-15H2,(H3,22,23,26).
What are the key properties of [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 367.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 2541146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).