benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate

C17H24N2O2 — CID 112545058

IUPACbenzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
SMILESCC1CC(NC(=O)OCc2ccccc2)CN(C2CC2)C1
InChIInChI=1S/C17H24N2O2/c1-13-9-15(11-19(10-13)16-7-8-16)18-17(20)21-12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)
InChIKeyOFSDITVATFGYPH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds4

About benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate

benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate (PubChem CID 112545058) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
PubChem CID112545058
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
SMILESCC1CC(NC(=O)OCc2ccccc2)CN(C2CC2)C1
InChIInChI=1S/C17H24N2O2/c1-13-9-15(11-19(10-13)16-7-8-16)18-17(20)21-12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)
InChIKeyOFSDITVATFGYPH-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112545077
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 175472031
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate
CID 142544483
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate?
The IUPAC name of benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate (CID 112545058) is benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate is CC1CC(NC(=O)OCc2ccccc2)CN(C2CC2)C1.
What is the InChIKey of benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate?
The InChIKey is OFSDITVATFGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-9-15(11-19(10-13)16-7-8-16)18-17(20)21-12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20).
What are the key properties of benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate?
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112545058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).