1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea

C21H33N3O2 — CID 23723868

IUPAC1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
SMILESCCNC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H33N3O2/c1-3-22-21(25)24(11-12-26-2)16-17-7-6-10-23(15-17)20-13-18-8-4-5-9-19(18)14-20/h4-5,8-9,17,20H,3,6-7,10-16H2,1-2H3,(H,22,25)
InChIKeyHMMSTUTWZZJMJY-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.54
Rot. Bonds7

About 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea

1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea (PubChem CID 23723868) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
PubChem CID23723868
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
SMILESCCNC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H33N3O2/c1-3-22-21(25)24(11-12-26-2)16-17-7-6-10-23(15-17)20-13-18-8-4-5-9-19(18)14-20/h4-5,8-9,17,20H,3,6-7,10-16H2,1-2H3,(H,22,25)
InChIKeyHMMSTUTWZZJMJY-UHFFFAOYSA-N
XLogP2.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea with MolForge

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Related Compounds

N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
4-cyclopentyl-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide
CID 44418558
N-(2,3-dihydro-1H-inden-2-yl)-4-isopropylpiperazine-1-carboxamide
CID 44418559
N-(2,3-dihydro-1H-inden-2-yl)-4-ethylpiperazine-1-carboxamide
CID 44418565
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
ethyl N-{[{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amino]carbonyl}glycinate
CID 23723579
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-N'-propylurea
CID 23723799
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
N-{[1-(2,3-Dihydro-1H-inden-2-YL)piperidin-3-YL]methyl}-2-methoxy-N-(2-methoxyethyl)acetamide
CID 72864772

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea?
The IUPAC name of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea (CID 23723868) is 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea is CCNC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea?
The InChIKey is HMMSTUTWZZJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-22-21(25)24(11-12-26-2)16-17-7-6-10-23(15-17)20-13-18-8-4-5-9-19(18)14-20/h4-5,8-9,17,20H,3,6-7,10-16H2,1-2H3,(H,22,25).
What are the key properties of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea?
1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea has a molecular weight of 359.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea is sourced from PubChem (CID 23723868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).