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

C22H35N3O2 — CID 23723799

IUPAC1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea
SMILESCCCNC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H35N3O2/c1-3-10-23-22(26)25(12-13-27-2)17-18-7-6-11-24(16-18)21-14-19-8-4-5-9-20(19)15-21/h4-5,8-9,18,21H,3,6-7,10-17H2,1-2H3,(H,23,26)
InChIKeyLYYFBDQSTYLFSU-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.93
Rot. Bonds8

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

1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea (PubChem CID 23723799) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea.

Molecular Properties

Compound Name1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea
PubChem CID23723799
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea
SMILESCCCNC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H35N3O2/c1-3-10-23-22(26)25(12-13-27-2)17-18-7-6-11-24(16-18)21-14-19-8-4-5-9-20(19)15-21/h4-5,8-9,18,21H,3,6-7,10-17H2,1-2H3,(H,23,26)
InChIKeyLYYFBDQSTYLFSU-UHFFFAOYSA-N
XLogP2.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea 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
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
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]-1-(2-methoxyethyl)-3-propylurea?
The IUPAC name of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea (CID 23723799) is 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea.
What is the SMILES notation for 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea?
The canonical SMILES for 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea is CCCNC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea?
The InChIKey is LYYFBDQSTYLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-3-10-23-22(26)25(12-13-27-2)17-18-7-6-11-24(16-18)21-14-19-8-4-5-9-20(19)15-21/h4-5,8-9,18,21H,3,6-7,10-17H2,1-2H3,(H,23,26).
What are the key properties of 1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea?
1-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-1-(2-methoxyethyl)-3-propylurea has a molecular weight of 373.54 g/mol, XLogP of 2.93, 8 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]-1-(2-methoxyethyl)-3-propylurea is sourced from PubChem (CID 23723799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).