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

C22H26N2O2 — CID 162665269

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H26N2O2/c25-22(23-20-10-2-1-3-11-20)26-16-17-7-6-12-24(15-17)21-13-18-8-4-5-9-19(18)14-21/h1-5,8-11,17,21H,6-7,12-16H2,(H,23,25)
InChIKeyHMUSVJAJTVZDOX-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.11
Rot. Bonds4

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

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate (PubChem CID 162665269) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
PubChem CID162665269
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H26N2O2/c25-22(23-20-10-2-1-3-11-20)26-16-17-7-6-12-24(15-17)21-13-18-8-4-5-9-19(18)14-21/h1-5,8-11,17,21H,6-7,12-16H2,(H,23,25)
InChIKeyHMUSVJAJTVZDOX-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate
CID 134364400
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977
(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate
CID 162670860
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
CID 12650344
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
CID 97275119
N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
CID 56739005
ethyl 2-[[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)carbamoyl]amino]acetate
CID 25488529
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate (CID 162665269) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate?
The InChIKey is HMUSVJAJTVZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(23-20-10-2-1-3-11-20)26-16-17-7-6-12-24(15-17)21-13-18-8-4-5-9-19(18)14-21/h1-5,8-11,17,21H,6-7,12-16H2,(H,23,25).
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate has a molecular weight of 350.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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-phenylcarbamate is sourced from PubChem (CID 162665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).