5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid

C16H28N2O4 — CID 165455278

IUPAC5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C2CCC(C(=O)O)NC2)C1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18-8-4-5-12(10-18)11-6-7-13(14(19)20)17-9-11/h11-13,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyZWICRBZBWNHQMW-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.09
Rot. Bonds2

About 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid

5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid (PubChem CID 165455278) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid
PubChem CID165455278
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C2CCC(C(=O)O)NC2)C1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18-8-4-5-12(10-18)11-6-7-13(14(19)20)17-9-11/h11-13,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyZWICRBZBWNHQMW-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 125041566
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
5-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-1-carboxylic acid
CID 82379254
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl (4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carboxylate
CID 71305999
tert-butyl (5aS,9aR)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine-4-carboxylate
CID 97183918
(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 97111748

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid?
The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid (CID 165455278) is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(C2CCC(C(=O)O)NC2)C1.
What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid?
The InChIKey is ZWICRBZBWNHQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18-8-4-5-12(10-18)11-6-7-13(14(19)20)17-9-11/h11-13,17H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid?
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 165455278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).