benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate

C20H30N2O2 — CID 112545097

IUPACbenzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OCc2ccccc2)CN(CC2CCC2)C1
InChIInChI=1S/C20H30N2O2/c1-2-16-11-19(14-22(12-16)13-17-9-6-10-17)21-20(23)24-15-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,2,6,9-15H2,1H3,(H,21,23)
InChIKeyGYHKZVXRVVBMCX-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.81
Rot. Bonds6

About benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate

benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate (PubChem CID 112545097) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
PubChem CID112545097
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebenzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OCc2ccccc2)CN(CC2CCC2)C1
InChIInChI=1S/C20H30N2O2/c1-2-16-11-19(14-22(12-16)13-17-9-6-10-17)21-20(23)24-15-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,2,6,9-15H2,1H3,(H,21,23)
InChIKeyGYHKZVXRVVBMCX-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
benzyl N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545113
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate (CID 112545097) is benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate is CCC1CC(NC(=O)OCc2ccccc2)CN(CC2CCC2)C1.
What is the InChIKey of benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The InChIKey is GYHKZVXRVVBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-16-11-19(14-22(12-16)13-17-9-6-10-17)21-20(23)24-15-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,2,6,9-15H2,1H3,(H,21,23).
What are the key properties of benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate?
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112545097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).