1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea

C19H31N3O2 — CID 71923771

IUPAC1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea
SMILESCOC1CCN(CCNC(=O)NCC(C)c2cccc(C)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-15-5-4-6-17(13-15)16(2)14-21-19(23)20-9-12-22-10-7-18(24-3)8-11-22/h4-6,13,16,18H,7-12,14H2,1-3H3,(H2,20,21,23)
InChIKeyRRTVAUNTIXPLDN-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.51
Rot. Bonds7

About 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea

1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea (PubChem CID 71923771) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea
PubChem CID71923771
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea
SMILESCOC1CCN(CCNC(=O)NCC(C)c2cccc(C)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-15-5-4-6-17(13-15)16(2)14-21-19(23)20-9-12-22-10-7-18(24-3)8-11-22/h4-6,13,16,18H,7-12,14H2,1-3H3,(H2,20,21,23)
InChIKeyRRTVAUNTIXPLDN-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea?
The IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea (CID 71923771) is 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea.
What is the SMILES notation for 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea?
The canonical SMILES for 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea is COC1CCN(CCNC(=O)NCC(C)c2cccc(C)c2)CC1.
What is the InChIKey of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea?
The InChIKey is RRTVAUNTIXPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15-5-4-6-17(13-15)16(2)14-21-19(23)20-9-12-22-10-7-18(24-3)8-11-22/h4-6,13,16,18H,7-12,14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea?
1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea is sourced from PubChem (CID 71923771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).