1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea

C16H23N3O3 — CID 121061896

IUPAC1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-2-17-16(22)18-13-5-3-12(4-6-13)11-15(21)19-9-7-14(20)8-10-19/h3-6,14,20H,2,7-11H2,1H3,(H2,17,18,22)
InChIKeyYDDSSGJFTIZBEL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.35
Rot. Bonds4

About 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea

1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea (PubChem CID 121061896) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
PubChem CID121061896
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-2-17-16(22)18-13-5-3-12(4-6-13)11-15(21)19-9-7-14(20)8-10-19/h3-6,14,20H,2,7-11H2,1H3,(H2,17,18,22)
InChIKeyYDDSSGJFTIZBEL-UHFFFAOYSA-N
XLogP1.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
N-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 106671076
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
1-[(4-chlorophenyl)methyl]-3-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]urea;methanol
CID 156825295
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 56518670
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea (CID 121061896) is 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea is CCNC(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea?
The InChIKey is YDDSSGJFTIZBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-17-16(22)18-13-5-3-12(4-6-13)11-15(21)19-9-7-14(20)8-10-19/h3-6,14,20H,2,7-11H2,1H3,(H2,17,18,22).
What are the key properties of 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea?
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea has a molecular weight of 305.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea is sourced from PubChem (CID 121061896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).