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

C19H28N2O3 — CID 134364400

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O3/c1-23-10-8-20-19(22)24-14-15-5-4-9-21(13-15)18-11-16-6-2-3-7-17(16)12-18/h2-3,6-7,15,18H,4-5,8-14H2,1H3,(H,20,22)
InChIKeyDKKMIWPXLLKUOE-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.24
Rot. Bonds6

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

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate (PubChem CID 134364400) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate
PubChem CID134364400
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O3/c1-23-10-8-20-19(22)24-14-15-5-4-9-21(13-15)18-11-16-6-2-3-7-17(16)12-18/h2-3,6-7,15,18H,4-5,8-14H2,1H3,(H,20,22)
InChIKeyDKKMIWPXLLKUOE-UHFFFAOYSA-N
XLogP2.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
CID 162665269
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
ethyl 2-[[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)carbamoyl]amino]acetate
CID 25488529
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
CID 97275119
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide
CID 72902576
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 72930957
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-imidazole-5-carboxamide
CID 97271061
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpyrazole-3-carboxamide
CID 25458245
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069
N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
CID 56739005
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 26332304

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate (CID 134364400) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate is COCCNC(=O)OCC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate?
The InChIKey is DKKMIWPXLLKUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-10-8-20-19(22)24-14-15-5-4-9-21(13-15)18-11-16-6-2-3-7-17(16)12-18/h2-3,6-7,15,18H,4-5,8-14H2,1H3,(H,20,22).
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate has a molecular weight of 332.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 134364400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).