1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea

C16H25N3O2 — CID 56824217

IUPAC1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCCOc1cc(NC(=O)NC2CCN(C)CC2)ccc1C
InChIInChI=1S/C16H25N3O2/c1-4-21-15-11-14(6-5-12(15)2)18-16(20)17-13-7-9-19(3)10-8-13/h5-6,11,13H,4,7-10H2,1-3H3,(H2,17,18,20)
InChIKeyACJZUJMSRCNFLO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea

1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 56824217) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID56824217
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCCOc1cc(NC(=O)NC2CCN(C)CC2)ccc1C
InChIInChI=1S/C16H25N3O2/c1-4-21-15-11-14(6-5-12(15)2)18-16(20)17-13-7-9-19(3)10-8-13/h5-6,11,13H,4,7-10H2,1-3H3,(H2,17,18,20)
InChIKeyACJZUJMSRCNFLO-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 171357990
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71972136
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea (CID 56824217) is 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea is CCOc1cc(NC(=O)NC2CCN(C)CC2)ccc1C.
What is the InChIKey of 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is ACJZUJMSRCNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-15-11-14(6-5-12(15)2)18-16(20)17-13-7-9-19(3)10-8-13/h5-6,11,13H,4,7-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 291.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 56824217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).