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

C20H33N3O2 — CID 110622266

IUPAC1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
SMILESCOc1ccc(C(CNC(=O)NCC(C)C)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-15(2)13-21-20(24)22-14-19(23-11-9-16(3)10-12-23)17-5-7-18(25-4)8-6-17/h5-8,15-16,19H,9-14H2,1-4H3,(H2,21,22,24)
InChIKeyFBHIOSWTZLVKMR-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.42
Rot. Bonds7

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

1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea (PubChem CID 110622266) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
PubChem CID110622266
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
SMILESCOc1ccc(C(CNC(=O)NCC(C)C)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-15(2)13-21-20(24)22-14-19(23-11-9-16(3)10-12-23)17-5-7-18(25-4)8-6-17/h5-8,15-16,19H,9-14H2,1-4H3,(H2,21,22,24)
InChIKeyFBHIOSWTZLVKMR-UHFFFAOYSA-N
XLogP3.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272190
1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
CID 110902742
1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea
CID 110622760
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962709
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 17448529
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 129367897
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea (CID 110622266) is 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea is COc1ccc(C(CNC(=O)NCC(C)C)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea?
The InChIKey is FBHIOSWTZLVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15(2)13-21-20(24)22-14-19(23-11-9-16(3)10-12-23)17-5-7-18(25-4)8-6-17/h5-8,15-16,19H,9-14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea?
1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea has a molecular weight of 347.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 110622266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).