1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea

C19H29N3O2 — CID 96562833

IUPAC1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOC1CCN(CCNC(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1
InChIInChI=1S/C19H29N3O2/c1-14-13-15-5-3-4-6-17(15)18(14)21-19(23)20-9-12-22-10-7-16(24-2)8-11-22/h3-6,14,16,18H,7-13H2,1-2H3,(H2,20,21,23)/t14-,18+/m0/s1
InChIKeyAZGKZPCQMCIAJD-KBXCAEBGSA-N
MW331.46 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea

1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 96562833) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID96562833
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOC1CCN(CCNC(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1
InChIInChI=1S/C19H29N3O2/c1-14-13-15-5-3-4-6-17(15)18(14)21-19(23)20-9-12-22-10-7-16(24-2)8-11-22/h3-6,14,16,18H,7-13H2,1-2H3,(H2,20,21,23)/t14-,18+/m0/s1
InChIKeyAZGKZPCQMCIAJD-KBXCAEBGSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 96562907
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
1-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 97094926
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea
CID 136583687
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111435373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea (CID 96562833) is 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea is COC1CCN(CCNC(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1.
What is the InChIKey of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is AZGKZPCQMCIAJD-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-13-15-5-3-4-6-17(15)18(14)21-19(23)20-9-12-22-10-7-16(24-2)8-11-22/h3-6,14,16,18H,7-13H2,1-2H3,(H2,20,21,23)/t14-,18+/m0/s1.
What are the key properties of 1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.33, 5 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-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 96562833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).