1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone

C12H23NO2 — CID 142989375

IUPAC1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone
SMILESCCOCCC[C@@H]1CCN[C@H](C(C)=O)C1
InChIInChI=1S/C12H23NO2/c1-3-15-8-4-5-11-6-7-13-12(9-11)10(2)14/h11-13H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyRCCGINSANXAHQA-NEPJUHHUSA-N
MW213.32 g/mol
LogP1.76
Rot. Bonds6

About 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone

1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone (PubChem CID 142989375) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone
PubChem CID142989375
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone
SMILESCCOCCC[C@@H]1CCN[C@H](C(C)=O)C1
InChIInChI=1S/C12H23NO2/c1-3-15-8-4-5-11-6-7-13-12(9-11)10(2)14/h11-13H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyRCCGINSANXAHQA-NEPJUHHUSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone 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

6-(Oxan-4-yl)-1-(2,2,2-trifluoroethylamino)hexan-2-one
CID 114193596
Ethyl 7-piperidin-4-ylheptanoate
CID 10800166
Ethyl 6-(4-piperidyl)hexanoate
CID 17914210
Propan-2-yl 4-propylpiperidine-2-carboxylate
CID 20089050
4-(Tert-butylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one
CID 22972995
Ethyl 5-(piperidin-4-yl)pentanoate
CID 53725767
Ethyl 2-butylpiperidine-4-carboxylate
CID 53884428
Ethyl 5-ethylpiperidine-2-carboxylate
CID 54075498
Ethyl 2-piperidin-2-ylhexanoate
CID 54152233
5-(2-Ethoxyethyl)piperidin-3-one
CID 57299461
5-Methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one
CID 58598990
Ethyl 3-piperidin-2-ylpentanoate
CID 67315004

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone (CID 142989375) is 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone is CCOCCC[C@@H]1CCN[C@H](C(C)=O)C1.
What is the InChIKey of 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone?
The InChIKey is RCCGINSANXAHQA-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-8-4-5-11-6-7-13-12(9-11)10(2)14/h11-13H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone?
1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone has a molecular weight of 213.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 142989375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).