N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide

C18H34N2O2 — CID 50951237

IUPACN-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C2(C)CCN(C)CC2)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-13(21)19-14-11-15(17(2,3)4)22-16(12-14)18(5)7-9-20(6)10-8-18/h14-16H,7-12H2,1-6H3,(H,19,21)/t14-,15-,16+/m1/s1
InChIKeyHOAYUEMFXCMVSJ-OAGGEKHMSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds2

About N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide (PubChem CID 50951237) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide
PubChem CID50951237
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C2(C)CCN(C)CC2)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-13(21)19-14-11-15(17(2,3)4)22-16(12-14)18(5)7-9-20(6)10-8-18/h14-16H,7-12H2,1-6H3,(H,19,21)/t14-,15-,16+/m1/s1
InChIKeyHOAYUEMFXCMVSJ-OAGGEKHMSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide 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

Tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 75503508
N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 91802751
N-(9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
CID 123513564
1-Methyl-4-[1-[4-(propan-2-yloxymethyl)piperidin-2-yl]propan-2-yloxymethyl]piperidine
CID 132011854
1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine
CID 137395201
N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane
CID 142437297
N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 142437298
(4R)-2-ethyl-3,3,4,5,6-pentamethyloxane;N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide;methane
CID 160051643
(4R)-2-ethyl-3,3,4,5,6-pentamethyloxane;N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide
CID 161916510
N-[(2R,6S)-2,6-dicyclohexyloxan-4-yl]acetamide
CID 24805367

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide (CID 50951237) is N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](C2(C)CCN(C)CC2)O[C@@H](C(C)(C)C)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide?
The InChIKey is HOAYUEMFXCMVSJ-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(21)19-14-11-15(17(2,3)4)22-16(12-14)18(5)7-9-20(6)10-8-18/h14-16H,7-12H2,1-6H3,(H,19,21)/t14-,15-,16+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide has a molecular weight of 310.48 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50951237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).