1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

C20H25N3O2 — CID 108992011

IUPAC1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-11-13-23(14-12-15)17-9-7-16(8-10-17)21-20(24)22-18-5-3-4-6-19(18)25-2/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyVYJSTQIHESJWHA-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 108992011) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID108992011
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-11-13-23(14-12-15)17-9-7-16(8-10-17)21-20(24)22-18-5-3-4-6-19(18)25-2/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyVYJSTQIHESJWHA-UHFFFAOYSA-N
XLogP4.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzoate
CID 108992322
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991943
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108992532
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108992547
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
CID 168763596
CID 168763596
5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391798

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (CID 108992011) is 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is COc1ccccc1NC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is VYJSTQIHESJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-11-13-23(14-12-15)17-9-7-16(8-10-17)21-20(24)22-18-5-3-4-6-19(18)25-2/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea has a molecular weight of 339.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 108992011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).