4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one

C9H17N3O2 — CID 115102433

IUPAC4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1C1CCCCN1
InChIInChI=1S/C9H17N3O2/c10-5-7-6-14-9(13)12(7)8-3-1-2-4-11-8/h7-8,11H,1-6,10H2
InChIKeyBXJOJQUVJQUWBB-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.13
Rot. Bonds2

About 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one

4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one (PubChem CID 115102433) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
PubChem CID115102433
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1C1CCCCN1
InChIInChI=1S/C9H17N3O2/c10-5-7-6-14-9(13)12(7)8-3-1-2-4-11-8/h7-8,11H,1-6,10H2
InChIKeyBXJOJQUVJQUWBB-UHFFFAOYSA-N
XLogP-0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 115102426
(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one
CID 125477043
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
1-piperidin-2-ylimidazolidin-2-one
CID 112546311
4-piperidin-2-ylmorpholin-2-one
CID 112546370
1-piperidin-2-ylpiperidine-2,6-dione
CID 112546401
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115056721
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
(5R)-5-(2-bromoethyl)-5,6,7,8,9,9a-hexahydro-1H-[1,2,4]oxadiazolo[4,3-a]azepin-3-one
CID 142113423
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
CID 115102691
4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 115102514

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one (CID 115102433) is 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one is NCC1COC(=O)N1C1CCCCN1.
What is the InChIKey of 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BXJOJQUVJQUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-5-7-6-14-9(13)12(7)8-3-1-2-4-11-8/h7-8,11H,1-6,10H2.
What are the key properties of 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one?
4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115102433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).