propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate

C19H28N2O2 — CID 19761234

IUPACpropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C19H28N2O2/c1-3-12-23-19(22)20(2)17-8-10-21(11-9-17)18-13-15-6-4-5-7-16(15)14-18/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyIFGJWIUCUWEOKY-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.10
Rot. Bonds4

About propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate

propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 19761234) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID19761234
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Namepropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C19H28N2O2/c1-3-12-23-19(22)20(2)17-8-10-21(11-9-17)18-13-15-6-4-5-7-16(15)14-18/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyIFGJWIUCUWEOKY-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate (CID 19761234) is propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate is CCCOC(=O)N(C)C1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is IFGJWIUCUWEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-12-23-19(22)20(2)17-8-10-21(11-9-17)18-13-15-6-4-5-7-16(15)14-18/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate?
propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 316.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 19761234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).