3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

C14H21N3O2 — CID 108895704

IUPAC3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2cccc(O)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-16-8-6-12(7-9-16)17(2)14(19)15-11-4-3-5-13(18)10-11/h3-5,10,12,18H,6-9H2,1-2H3,(H,15,19)
InChIKeyHVEAMAFQPUVPHQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds2

About 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 108895704) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID108895704
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2cccc(O)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-16-8-6-12(7-9-16)17(2)14(19)15-11-4-3-5-13(18)10-11/h3-5,10,12,18H,6-9H2,1-2H3,(H,15,19)
InChIKeyHVEAMAFQPUVPHQ-UHFFFAOYSA-N
XLogP1.95
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874785
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
3-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108873206
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 108895704) is 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)Nc2cccc(O)c2)CC1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is HVEAMAFQPUVPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-8-6-12(7-9-16)17(2)14(19)15-11-4-3-5-13(18)10-11/h3-5,10,12,18H,6-9H2,1-2H3,(H,15,19).
What are the key properties of 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 263.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 108895704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).