1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea

C17H27N3O3 — CID 72841080

IUPAC1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea
SMILESCOc1c(C)cc(NC(=O)NCC2(O)CCN(C)CC2)cc1C
InChIInChI=1S/C17H27N3O3/c1-12-9-14(10-13(2)15(12)23-4)19-16(21)18-11-17(22)5-7-20(3)8-6-17/h9-10,22H,5-8,11H2,1-4H3,(H2,18,19,21)
InChIKeyWMFJUEUGZKAZPH-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.89
Rot. Bonds4

About 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea

1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea (PubChem CID 72841080) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea
PubChem CID72841080
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea
SMILESCOc1c(C)cc(NC(=O)NCC2(O)CCN(C)CC2)cc1C
InChIInChI=1S/C17H27N3O3/c1-12-9-14(10-13(2)15(12)23-4)19-16(21)18-11-17(22)5-7-20(3)8-6-17/h9-10,22H,5-8,11H2,1-4H3,(H2,18,19,21)
InChIKeyWMFJUEUGZKAZPH-UHFFFAOYSA-N
XLogP1.89
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3,5-dimethylphenyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182914
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
1-[(4-methoxy-3,5-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242776
methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
CID 62550581
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 166206040

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea?
The IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea (CID 72841080) is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea is COc1c(C)cc(NC(=O)NCC2(O)CCN(C)CC2)cc1C.
What is the InChIKey of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea?
The InChIKey is WMFJUEUGZKAZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-9-14(10-13(2)15(12)23-4)19-16(21)18-11-17(22)5-7-20(3)8-6-17/h9-10,22H,5-8,11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea?
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea has a molecular weight of 321.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea is sourced from PubChem (CID 72841080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).