1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea

C20H33N3O3 — CID 86953624

IUPAC1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea
SMILESCCCCN1CCCCC1CNC(=O)NCCc1ccc(O)c(OC)c1
InChIInChI=1S/C20H33N3O3/c1-3-4-12-23-13-6-5-7-17(23)15-22-20(25)21-11-10-16-8-9-18(24)19(14-16)26-2/h8-9,14,17,24H,3-7,10-13,15H2,1-2H3,(H2,21,22,25)
InChIKeySQMJYBSKGHGUKU-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.90
Rot. Bonds9

About 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea

1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea (PubChem CID 86953624) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea
PubChem CID86953624
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea
SMILESCCCCN1CCCCC1CNC(=O)NCCc1ccc(O)c(OC)c1
InChIInChI=1S/C20H33N3O3/c1-3-4-12-23-13-6-5-7-17(23)15-22-20(25)21-11-10-16-8-9-18(24)19(14-16)26-2/h8-9,14,17,24H,3-7,10-13,15H2,1-2H3,(H2,21,22,25)
InChIKeySQMJYBSKGHGUKU-UHFFFAOYSA-N
XLogP2.90
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1-ethylpiperidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111763078
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758
1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
CID 124880993
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
CID 109028142
4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide
CID 47090811
2-methoxy-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 15664993
4-[[(1-butylpiperidin-2-yl)methylamino]methyl]benzoic acid
CID 122031194

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea (CID 86953624) is 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea is CCCCN1CCCCC1CNC(=O)NCCc1ccc(O)c(OC)c1.
What is the InChIKey of 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea?
The InChIKey is SQMJYBSKGHGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-3-4-12-23-13-6-5-7-17(23)15-22-20(25)21-11-10-16-8-9-18(24)19(14-16)26-2/h8-9,14,17,24H,3-7,10-13,15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea?
1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea has a molecular weight of 363.50 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 86953624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).