2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate

C15H19NO3 — CID 174465482

IUPAC2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate
SMILESO=COCCC1CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C15H19NO3/c17-12-19-9-7-14-6-8-16(11-15(14)18)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyOBEFHGWBTWCUBN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds6

About 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate

2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate (PubChem CID 174465482) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate
PubChem CID174465482
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate
SMILESO=COCCC1CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C15H19NO3/c17-12-19-9-7-14-6-8-16(11-15(14)18)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyOBEFHGWBTWCUBN-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-fluoropiperidin-3-one
CID 83670241
(3S)-1-benzylpyrrolidine-3-carbaldehyde;ethyl formate
CID 142014962
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-benzylpiperidin-3-one;hydrate
CID 144851326
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
1-benzylpiperidin-3-one;ethene
CID 153347429
3-[(3S)-1-benzylpiperidin-3-yl]propanal
CID 129365350
1-benzylazepane-3-carbaldehyde
CID 83910081
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate?
The IUPAC name of 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate (CID 174465482) is 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate?
The canonical SMILES for 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate is O=COCCC1CCN(Cc2ccccc2)CC1=O.
What is the InChIKey of 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate?
The InChIKey is OBEFHGWBTWCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-12-19-9-7-14-6-8-16(11-15(14)18)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2.
What are the key properties of 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate?
2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate has a molecular weight of 261.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate is sourced from PubChem (CID 174465482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).