1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid

C17H28N2O5 — CID 119028566

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)18-9-6-12(7-10-18)14(20)19-8-4-5-13(11-19)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKeyLBVUQBVROOWKCH-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.96
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 119028566) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID119028566
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)18-9-6-12(7-10-18)14(20)19-8-4-5-13(11-19)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKeyLBVUQBVROOWKCH-UHFFFAOYSA-N
XLogP1.96
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid
CID 70237117
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 167543627
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-1,4-diazepane-1-carboxylate
CID 52843125
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl (3R)-3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;cyclopentane;1-(cyclopentylmethyl)pyrrolidine;hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 158915404
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 50986435

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid (CID 119028566) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is LBVUQBVROOWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)18-9-6-12(7-10-18)14(20)19-8-4-5-13(11-19)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119028566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).