[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C19H33NO3 — CID 124608319

IUPAC[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)C1(C)C
InChIInChI=1S/C19H33NO3/c1-18(2)16(19(18,3)4)17(21)20-10-8-14(9-11-20)23-13-15-7-5-6-12-22-15/h14-16H,5-13H2,1-4H3/t15-/m1/s1
InChIKeyLMICVMVALNPWMO-OAHLLOKOSA-N
MW323.48 g/mol
LogP3.25
Rot. Bonds4

About [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 124608319) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID124608319
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)C1(C)C
InChIInChI=1S/C19H33NO3/c1-18(2)16(19(18,3)4)17(21)20-10-8-14(9-11-20)23-13-15-7-5-6-12-22-15/h14-16H,5-13H2,1-4H3/t15-/m1/s1
InChIKeyLMICVMVALNPWMO-OAHLLOKOSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

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Related Compounds

[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
CID 124609824
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 96515474
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 124608319) is [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)C1(C)C.
What is the InChIKey of [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LMICVMVALNPWMO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H33NO3/c1-18(2)16(19(18,3)4)17(21)20-10-8-14(9-11-20)23-13-15-7-5-6-12-22-15/h14-16H,5-13H2,1-4H3/t15-/m1/s1.
What are the key properties of [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 323.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 124608319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).