(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C15H27N3O4 — CID 94824519

IUPAC(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H](C(=O)NO[C@H]2CCCCO2)C1
InChIInChI=1S/C15H27N3O4/c1-11(2)16-15(20)18-8-5-6-12(10-18)14(19)17-22-13-7-3-4-9-21-13/h11-13H,3-10H2,1-2H3,(H,16,20)(H,17,19)/t12-,13+/m1/s1
InChIKeyXETZTBPELJZHSA-OLZOCXBDSA-N
MW313.40 g/mol
LogP1.39
Rot. Bonds4

About (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 94824519) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID94824519
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H](C(=O)NO[C@H]2CCCCO2)C1
InChIInChI=1S/C15H27N3O4/c1-11(2)16-15(20)18-8-5-6-12(10-18)14(19)17-22-13-7-3-4-9-21-13/h11-13H,3-10H2,1-2H3,(H,16,20)(H,17,19)/t12-,13+/m1/s1
InChIKeyXETZTBPELJZHSA-OLZOCXBDSA-N
XLogP1.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145
(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide
CID 124857565
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3R)-3-N-methoxy-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94123913
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
N-(oxan-2-yloxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 154859849
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
CID 51727369
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
3-isocyano-N-propan-2-ylpiperidine-1-carboxamide
CID 140701230

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 94824519) is (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCC[C@@H](C(=O)NO[C@H]2CCCCO2)C1.
What is the InChIKey of (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is XETZTBPELJZHSA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-11(2)16-15(20)18-8-5-6-12(10-18)14(19)17-22-13-7-3-4-9-21-13/h11-13H,3-10H2,1-2H3,(H,16,20)(H,17,19)/t12-,13+/m1/s1.
What are the key properties of (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94824519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).