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

C16H25N3O2 — CID 11493037

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCOc1ccc(CCNC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19-11-8-14(9-12-19)18-16(20)17-10-7-13-3-5-15(21-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H2,17,18,20)
InChIKeyZWENCCZTEKJCJM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.63
Rot. Bonds5

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

1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 11493037) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID11493037
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCOc1ccc(CCNC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19-11-8-14(9-12-19)18-16(20)17-10-7-13-3-5-15(21-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H2,17,18,20)
InChIKeyZWENCCZTEKJCJM-UHFFFAOYSA-N
XLogP1.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94441247
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
4-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]ethyl]benzoic acid
CID 61465139
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 157179534
N-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 143176546
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea (CID 11493037) is 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea is COc1ccc(CCNC(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is ZWENCCZTEKJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19-11-8-14(9-12-19)18-16(20)17-10-7-13-3-5-15(21-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 291.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 11493037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).