4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid

C12H20N2O4 — CID 66240131

IUPAC4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)NC2COCC2C(=O)O)CCCNC1
InChIInChI=1S/C12H20N2O4/c1-12(3-2-4-13-7-12)11(17)14-9-6-18-5-8(9)10(15)16/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyOSBGHVWAUUOJBA-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.41
Rot. Bonds3

About 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid

4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66240131) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66240131
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)NC2COCC2C(=O)O)CCCNC1
InChIInChI=1S/C12H20N2O4/c1-12(3-2-4-13-7-12)11(17)14-9-6-18-5-8(9)10(15)16/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyOSBGHVWAUUOJBA-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110931002
4-[methyl-(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235604
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
4-[(2-methylthiolane-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 81451910
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763010
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
3-methylpiperidine-3-carbohydrazide
CID 63991806
4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239177
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
oxetan-3-yl 3-methylpiperidine-3-carboxylate
CID 102606693
3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
CID 63135348

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66240131) is 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid is CC1(C(=O)NC2COCC2C(=O)O)CCCNC1.
What is the InChIKey of 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is OSBGHVWAUUOJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(3-2-4-13-7-12)11(17)14-9-6-18-5-8(9)10(15)16/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).