5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one

C12H22N2O2 — CID 3040558

IUPAC5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1CC(CN2CCCCC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13/h11H,2-10H2,1H3
InChIKeyAWZDBWJJJHKMPP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.70
Rot. Bonds4

About 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one

5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one (PubChem CID 3040558) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
PubChem CID3040558
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1CC(CN2CCCCC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13/h11H,2-10H2,1H3
InChIKeyAWZDBWJJJHKMPP-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
Ammonium, (2-hydroxyethyl)trimethyl-, iodide, 1-piperidinecarboxylate
CID 46590
2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
Piperidinium, 1,1-dimethyl-3-hydroxy-, bromide, dimethylcarbamate (ester)
CID 3051243
3-(3-(Piperidin-1-yl)propyl)-1,3-oxazolidin-2-one
CID 17785481
2-Pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
CID 515568
3-Cyclohexyl-5-methyl-1,3-oxazolidin-2-one
CID 13547988
3-[3-[4-(2-Methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 71887084
2-(3-ethoxypiperidin-1-yl)ethyl N,N-dimethylcarbamate
CID 86789186

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one (CID 3040558) is 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one is CCCN1CC(CN2CCCCC2)OC1=O.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one?
The InChIKey is AWZDBWJJJHKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13/h11H,2-10H2,1H3.
What are the key properties of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one?
5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3040558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).