ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate

C18H28N2O2 — CID 19913772

IUPACethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
SMILESCCCN(C(=O)OCC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-3-12-20(18(21)22-4-2)17-10-13-19(14-11-17)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3
InChIKeyAYVCSHLITWDTCR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate

ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate (PubChem CID 19913772) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate.

Molecular Properties

Compound Nameethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
PubChem CID19913772
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
SMILESCCCN(C(=O)OCC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-3-12-20(18(21)22-4-2)17-10-13-19(14-11-17)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3
InChIKeyAYVCSHLITWDTCR-UHFFFAOYSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
CID 141100611
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
CID 19913817
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate?
The IUPAC name of ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate (CID 19913772) is ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate.
What is the SMILES notation for ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate?
The canonical SMILES for ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate is CCCN(C(=O)OCC)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate?
The InChIKey is AYVCSHLITWDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-12-20(18(21)22-4-2)17-10-13-19(14-11-17)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3.
What are the key properties of ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate?
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate has a molecular weight of 304.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate is sourced from PubChem (CID 19913772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).