1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C16H28N2O4 — CID 122005273

IUPAC1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)C1OCCCC1CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H28N2O4/c1-11(2)14-13(4-3-9-22-14)10-17-16(21)18-7-5-12(6-8-18)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyURPMTKUXTVBIMC-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.94
Rot. Bonds4

About 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122005273) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122005273
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)C1OCCCC1CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H28N2O4/c1-11(2)14-13(4-3-9-22-14)10-17-16(21)18-7-5-12(6-8-18)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyURPMTKUXTVBIMC-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]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

Related Compounds

N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 124890213
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 128995387
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122013023
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119819562
N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
CID 114105361

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122005273) is 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CC(C)C1OCCCC1CNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is URPMTKUXTVBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(2)14-13(4-3-9-22-14)10-17-16(21)18-7-5-12(6-8-18)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122005273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).