1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 122014061

IUPAC1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1COCCC1CNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10-9-20-6-4-11(10)7-15-14(19)16-5-2-3-12(8-16)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyCCUZDVJNDFWZQM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.17
Rot. Bonds3

About 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122014061) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122014061
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1COCCC1CNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10-9-20-6-4-11(10)7-15-14(19)16-5-2-3-12(8-16)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyCCUZDVJNDFWZQM-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114131749
3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014064
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 104876966
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
CID 114105361
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 122014061) is 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid is CC1COCCC1CNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CCUZDVJNDFWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-9-20-6-4-11(10)7-15-14(19)16-5-2-3-12(8-16)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122014061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).