1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid

C12H20N2O4 — CID 115294492

IUPAC1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)N2CCCC(C(=O)O)C2)CCOCC1
InChIInChI=1S/C12H20N2O4/c13-12(3-6-18-7-4-12)11(17)14-5-1-2-9(8-14)10(15)16/h9H,1-8,13H2,(H,15,16)
InChIKeyDTAYSGQVGPDYKW-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.18
Rot. Bonds2

About 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid

1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 115294492) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID115294492
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)N2CCCC(C(=O)O)C2)CCOCC1
InChIInChI=1S/C12H20N2O4/c13-12(3-6-18-7-4-12)11(17)14-5-1-2-9(8-14)10(15)16/h9H,1-8,13H2,(H,15,16)
InChIKeyDTAYSGQVGPDYKW-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-aminooxane-4-carbonyl)piperidine-3-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

(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
1-(1-aminocyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103811036
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
1-[4-(4-bromophenyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 119128019
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid (CID 115294492) is 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid is NC1(C(=O)N2CCCC(C(=O)O)C2)CCOCC1.
What is the InChIKey of 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is DTAYSGQVGPDYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-12(3-6-18-7-4-12)11(17)14-5-1-2-9(8-14)10(15)16/h9H,1-8,13H2,(H,15,16).
What are the key properties of 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid?
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 115294492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).