pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate

C16H18N2O2 — CID 79337024

IUPACpyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OCC1CCNC1
InChIInChI=1S/C16H18N2O2/c19-16(20-11-12-8-9-17-10-12)18-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12,17H,8-11H2,(H,18,19)
InChIKeyWSQHQMYYSNWCSL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.00
Rot. Bonds3

About pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate

pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate (PubChem CID 79337024) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Namepyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
PubChem CID79337024
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namepyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OCC1CCNC1
InChIInChI=1S/C16H18N2O2/c19-16(20-11-12-8-9-17-10-12)18-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12,17H,8-11H2,(H,18,19)
InChIKeyWSQHQMYYSNWCSL-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
CID 79345565
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
CID 68534065
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
CID 121425435
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
CID 79872878
piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate
CID 10473760
piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride
CID 19962099
naphthalen-1-ylurea;hydrochloride
CID 141142203
pyrrolidin-3-ylmethyl butanoate
CID 143112520

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate?
The IUPAC name of pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate (CID 79337024) is pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate is O=C(Nc1cccc2ccccc12)OCC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate?
The InChIKey is WSQHQMYYSNWCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20-11-12-8-9-17-10-12)18-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12,17H,8-11H2,(H,18,19).
What are the key properties of pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate?
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate has a molecular weight of 270.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 79337024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).