1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea

C15H23N3O3 — CID 143176546

IUPAC1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCOc1cc(O)cc(CNC(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-18-5-3-12(4-6-18)17-15(20)16-10-11-7-13(19)9-14(8-11)21-2/h7-9,12,19H,3-6,10H2,1-2H3,(H2,16,17,20)
InChIKeyPUNIHSBOVQPLAN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.29
Rot. Bonds4

About 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea

1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 143176546) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID143176546
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCOc1cc(O)cc(CNC(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-18-5-3-12(4-6-18)17-15(20)16-10-11-7-13(19)9-14(8-11)21-2/h7-9,12,19H,3-6,10H2,1-2H3,(H2,16,17,20)
InChIKeyPUNIHSBOVQPLAN-UHFFFAOYSA-N
XLogP1.29
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 11645361
1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55922079
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-[(3-chloro-5-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684889
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684912
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45171198
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181525

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea (CID 143176546) is 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea is COc1cc(O)cc(CNC(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is PUNIHSBOVQPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18-5-3-12(4-6-18)17-15(20)16-10-11-7-13(19)9-14(8-11)21-2/h7-9,12,19H,3-6,10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 143176546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).