4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid

C17H24N2O3 — CID 143792175

IUPAC4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC2=CC=C3CCNCCC3=CC2)CC1
InChIInChI=1S/C17H24N2O3/c20-17(21)19-11-7-16(8-12-19)22-15-3-1-13-5-9-18-10-6-14(13)2-4-15/h1-3,16,18H,4-12H2,(H,20,21)
InChIKeyLGOBYQFNCCXZQO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid

4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid (PubChem CID 143792175) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid
PubChem CID143792175
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC2=CC=C3CCNCCC3=CC2)CC1
InChIInChI=1S/C17H24N2O3/c20-17(21)19-11-7-16(8-12-19)22-15-3-1-13-5-9-18-10-6-14(13)2-4-15/h1-3,16,18H,4-12H2,(H,20,21)
InChIKeyLGOBYQFNCCXZQO-UHFFFAOYSA-N
XLogP2.67
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-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

Related Compounds

4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 135219408
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355
4-[(6-oxo-1H-pyridin-2-yl)oxy]piperidine-1-carboxylic acid
CID 68917765
4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid
CID 67203574

Frequently Asked Questions

What is the IUPAC name of 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid (CID 143792175) is 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(OC2=CC=C3CCNCCC3=CC2)CC1.
What is the InChIKey of 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid?
The InChIKey is LGOBYQFNCCXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(21)19-11-7-16(8-12-19)22-15-3-1-13-5-9-18-10-6-14(13)2-4-15/h1-3,16,18H,4-12H2,(H,20,21).
What are the key properties of 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid?
4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azabicyclo[5.5.0]dodeca-1(12),7,9-trien-10-yloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 143792175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).