1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea

C26H37N3O3 — CID 24730828

IUPAC1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea
SMILESCOCCN(C(=O)Nc1cc(C)ccc1OC)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C26H37N3O3/c1-21-11-12-25(32-3)24(20-21)27-26(30)29(18-19-31-2)23-13-16-28(17-14-23)15-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,20,23H,7,10,13-19H2,1-3H3,(H,27,30)
InChIKeyMESYZSXBOKFWOJ-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.58
Rot. Bonds10

About 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea

1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea (PubChem CID 24730828) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea
PubChem CID24730828
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea
SMILESCOCCN(C(=O)Nc1cc(C)ccc1OC)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C26H37N3O3/c1-21-11-12-25(32-3)24(20-21)27-26(30)29(18-19-31-2)23-13-16-28(17-14-23)15-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,20,23H,7,10,13-19H2,1-3H3,(H,27,30)
InChIKeyMESYZSXBOKFWOJ-UHFFFAOYSA-N
XLogP4.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CID 24730832
1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730757
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730796
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
1-cyclopentyl-1-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 53207380
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 4046036
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515572
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(2-chloro-5-methoxyphenyl)urea
CID 140907556

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea (CID 24730828) is 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea is COCCN(C(=O)Nc1cc(C)ccc1OC)C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea?
The InChIKey is MESYZSXBOKFWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-21-11-12-25(32-3)24(20-21)27-26(30)29(18-19-31-2)23-13-16-28(17-14-23)15-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,20,23H,7,10,13-19H2,1-3H3,(H,27,30).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea?
1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea has a molecular weight of 439.60 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 24730828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).