5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid

C15H26N2O4 — CID 102687778

IUPAC5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid
SMILESCC1CCN(CCCNC(=O)C2CCC(C(=O)O)O2)CC1
InChIInChI=1S/C15H26N2O4/c1-11-5-9-17(10-6-11)8-2-7-16-14(18)12-3-4-13(21-12)15(19)20/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyZAAFTNVCNSNBRO-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.86
Rot. Bonds6

About 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid

5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687778) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102687778
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid
SMILESCC1CCN(CCCNC(=O)C2CCC(C(=O)O)O2)CC1
InChIInChI=1S/C15H26N2O4/c1-11-5-9-17(10-6-11)8-2-7-16-14(18)12-3-4-13(21-12)15(19)20/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyZAAFTNVCNSNBRO-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687897
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid (CID 102687778) is 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid is CC1CCN(CCCNC(=O)C2CCC(C(=O)O)O2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ZAAFTNVCNSNBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-5-9-17(10-6-11)8-2-7-16-14(18)12-3-4-13(21-12)15(19)20/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid?
5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).