5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid

C14H24N2O4 — CID 102687897

IUPAC5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2CCC(C(=O)O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-7-16-8-5-10(6-9-16)15-13(17)11-3-4-12(20-11)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyBDIAEJZJECUWNM-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.61
Rot. Bonds5

About 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid

5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687897) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687897
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2CCC(C(=O)O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-7-16-8-5-10(6-9-16)15-13(17)11-3-4-12(20-11)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyBDIAEJZJECUWNM-UHFFFAOYSA-N
XLogP0.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 17376897
5-(4-propylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687439
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid
CID 102687778
4-methyl-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721477
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
2-amino-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62777037
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102687897) is 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid is CCCN1CCC(NC(=O)C2CCC(C(=O)O)O2)CC1.
What is the InChIKey of 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BDIAEJZJECUWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-7-16-8-5-10(6-9-16)15-13(17)11-3-4-12(20-11)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid?
5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).