[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone

C13H24N2O2 — CID 120788294

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1
InChIInChI=1S/C13H24N2O2/c1-2-10-4-3-7-15(9-10)13(16)12-6-5-11(8-14)17-12/h10-12H,2-9,14H2,1H3/t10?,11-,12+/m1/s1
InChIKeyBQTHXBMZUKJFNA-SAIIYOCFSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone (PubChem CID 120788294) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
PubChem CID120788294
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1
InChIInChI=1S/C13H24N2O2/c1-2-10-4-3-7-15(9-10)13(16)12-6-5-11(8-14)17-12/h10-12H,2-9,14H2,1H3/t10?,11-,12+/m1/s1
InChIKeyBQTHXBMZUKJFNA-SAIIYOCFSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120800388
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
CID 120800238
N-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-2-methylpropanamide
CID 120790922
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 120791067
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone (CID 120788294) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is BQTHXBMZUKJFNA-SAIIYOCFSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-10-4-3-7-15(9-10)13(16)12-6-5-11(8-14)17-12/h10-12H,2-9,14H2,1H3/t10?,11-,12+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 120788294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).