(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid

C16H28N2O5 — CID 154776209

IUPAC(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O[C@@H]2CNC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(21)18-6-4-12(5-7-18)22-13-8-11(14(19)20)9-17-10-13/h11-13,17H,4-10H2,1-3H3,(H,19,20)/t11-,13+/m1/s1
InChIKeyLVSJBXASYHBYBE-YPMHNXCESA-N
MW328.41 g/mol
LogP1.47
Rot. Bonds3

About (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid

(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid (PubChem CID 154776209) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid
PubChem CID154776209
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O[C@@H]2CNC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(21)18-6-4-12(5-7-18)22-13-8-11(14(19)20)9-17-10-13/h11-13,17H,4-10H2,1-3H3,(H,19,20)/t11-,13+/m1/s1
InChIKeyLVSJBXASYHBYBE-YPMHNXCESA-N
XLogP1.47
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate
CID 167488557
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 4-[4-(cyclopropanecarbonyloxy)piperidine-1-carbonyl]piperazine-1-carboxylate
CID 175130527
tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
CID 176576765
tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate
CID 98051504
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 167543627
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid (CID 154776209) is (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(O[C@@H]2CNC[C@H](C(=O)O)C2)CC1.
What is the InChIKey of (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid?
The InChIKey is LVSJBXASYHBYBE-YPMHNXCESA-N. The full InChI is InChI=1S/C16H28N2O5/c1-16(2,3)23-15(21)18-6-4-12(5-7-18)22-13-8-11(14(19)20)9-17-10-13/h11-13,17H,4-10H2,1-3H3,(H,19,20)/t11-,13+/m1/s1.
What are the key properties of (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid?
(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid is sourced from PubChem (CID 154776209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).