(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide

C12H22N2O3 — CID 99718680

IUPAC(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C12H22N2O3/c1-10-6-2-4-8-14(10)12(15)13-17-11-7-3-5-9-16-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyBYVAZLWJPPJEBV-QWRGUYRKSA-N
MW242.32 g/mol
LogP2.03
Rot. Bonds2

About (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide

(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide (PubChem CID 99718680) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
PubChem CID99718680
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C12H22N2O3/c1-10-6-2-4-8-14(10)12(15)13-17-11-7-3-5-9-16-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyBYVAZLWJPPJEBV-QWRGUYRKSA-N
XLogP2.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide
CID 124857565
(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124743441
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145
(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94824519
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
N-(oxan-2-yloxy)hexanamide
CID 142707517
(2R)-2-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 95637959
2-cyclohexyloxy-N-(oxan-2-yloxy)propanamide
CID 91642782
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide (CID 99718680) is (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide is C[C@H]1CCCCN1C(=O)NO[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide?
The InChIKey is BYVAZLWJPPJEBV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-6-2-4-8-14(10)12(15)13-17-11-7-3-5-9-16-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide?
(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide is sourced from PubChem (CID 99718680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).