benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate

C18H27N3O3 — CID 112545003

IUPACbenzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OCc2ccccc2)CN(C(N)=O)C1
InChIInChI=1S/C18H27N3O3/c1-2-3-7-15-10-16(12-21(11-15)17(19)22)20-18(23)24-13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3,(H2,19,22)(H,20,23)
InChIKeyDGDJGAURMIJNKS-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.87
Rot. Bonds6

About benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate

benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate (PubChem CID 112545003) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
PubChem CID112545003
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namebenzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OCc2ccccc2)CN(C(N)=O)C1
InChIInChI=1S/C18H27N3O3/c1-2-3-7-15-10-16(12-21(11-15)17(19)22)20-18(23)24-13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3,(H2,19,22)(H,20,23)
InChIKeyDGDJGAURMIJNKS-UHFFFAOYSA-N
XLogP2.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
benzyl N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545113
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate?
The IUPAC name of benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate (CID 112545003) is benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate is CCCCC1CC(NC(=O)OCc2ccccc2)CN(C(N)=O)C1.
What is the InChIKey of benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate?
The InChIKey is DGDJGAURMIJNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-3-7-15-10-16(12-21(11-15)17(19)22)20-18(23)24-13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate?
benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate has a molecular weight of 333.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112545003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).