1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea

C23H32N4O2 — CID 86837498

IUPAC1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESCN(C)CCOc1cccc(CNC(=O)Nc2cccc(N3CCCCC3)c2)c1
InChIInChI=1S/C23H32N4O2/c1-26(2)14-15-29-22-11-6-8-19(16-22)18-24-23(28)25-20-9-7-10-21(17-20)27-12-4-3-5-13-27/h6-11,16-17H,3-5,12-15,18H2,1-2H3,(H2,24,25,28)
InChIKeyPPPPMQVMNOZALI-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.94
Rot. Bonds8

About 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea

1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea (PubChem CID 86837498) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
PubChem CID86837498
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESCN(C)CCOc1cccc(CNC(=O)Nc2cccc(N3CCCCC3)c2)c1
InChIInChI=1S/C23H32N4O2/c1-26(2)14-15-29-22-11-6-8-19(16-22)18-24-23(28)25-20-9-7-10-21(17-20)27-12-4-3-5-13-27/h6-11,16-17H,3-5,12-15,18H2,1-2H3,(H2,24,25,28)
InChIKeyPPPPMQVMNOZALI-UHFFFAOYSA-N
XLogP3.94
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837430
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111291136
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
CID 110368197
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739802
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56505658

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea (CID 86837498) is 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea is CN(C)CCOc1cccc(CNC(=O)Nc2cccc(N3CCCCC3)c2)c1.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea?
The InChIKey is PPPPMQVMNOZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26(2)14-15-29-22-11-6-8-19(16-22)18-24-23(28)25-20-9-7-10-21(17-20)27-12-4-3-5-13-27/h6-11,16-17H,3-5,12-15,18H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea?
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea has a molecular weight of 396.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 86837498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).