1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid

C17H30N2O4 — CID 45036923

IUPAC1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CN2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-10-4-13(5-11-19)12-18-8-6-14(7-9-18)15(20)21/h13-14H,4-12H2,1-3H3,(H,20,21)
InChIKeyYCHGOQQCCAUIFY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.43
Rot. Bonds3

About 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid

1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 45036923) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID45036923
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CN2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-10-4-13(5-11-19)12-18-8-6-14(7-9-18)15(20)21/h13-14H,4-12H2,1-3H3,(H,20,21)
InChIKeyYCHGOQQCCAUIFY-UHFFFAOYSA-N
XLogP2.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid (CID 45036923) is 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CN2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is YCHGOQQCCAUIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-10-4-13(5-11-19)12-18-8-6-14(7-9-18)15(20)21/h13-14H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.43, 3 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]piperidin-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).