benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate

C16H24N2O2 — CID 66569373

IUPACbenzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
SMILESCCN(CC1CCCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-18(12-15-9-6-10-17-11-15)16(19)20-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyVAIRXANURFGACA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds5

About benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate

benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate (PubChem CID 66569373) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
PubChem CID66569373
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
SMILESCCN(CC1CCCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-18(12-15-9-6-10-17-11-15)16(19)20-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyVAIRXANURFGACA-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 138986512
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate?
The IUPAC name of benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate (CID 66569373) is benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate?
The canonical SMILES for benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate is CCN(CC1CCCNC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate?
The InChIKey is VAIRXANURFGACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18(12-15-9-6-10-17-11-15)16(19)20-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3.
What are the key properties of benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate?
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate is sourced from PubChem (CID 66569373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).