[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea

C16H23N3O4 — CID 70709054

IUPAC[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCOc1ccc(OCC2CCCN(C(=O)CNC(N)=O)C2)cc1
InChIInChI=1S/C16H23N3O4/c1-22-13-4-6-14(7-5-13)23-11-12-3-2-8-19(10-12)15(20)9-18-16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H3,17,18,21)
InChIKeyFJZVSLQOUFHDGJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.98
Rot. Bonds6

About [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea

[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 70709054) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID70709054
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCOc1ccc(OCC2CCCN(C(=O)CNC(N)=O)C2)cc1
InChIInChI=1S/C16H23N3O4/c1-22-13-4-6-14(7-5-13)23-11-12-3-2-8-19(10-12)15(20)9-18-16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H3,17,18,21)
InChIKeyFJZVSLQOUFHDGJ-UHFFFAOYSA-N
XLogP0.98
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea with MolForge

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Related Compounds

[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741
3-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395321
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70772405
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]butan-1-one
CID 110638727
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]pentan-1-one
CID 110410652
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876
N-[4-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutyl]acetamide
CID 70767223

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea (CID 70709054) is [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea is COc1ccc(OCC2CCCN(C(=O)CNC(N)=O)C2)cc1.
What is the InChIKey of [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is FJZVSLQOUFHDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-13-4-6-14(7-5-13)23-11-12-3-2-8-19(10-12)15(20)9-18-16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H3,17,18,21).
What are the key properties of [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 321.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 70709054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).