1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C16H26N2O4 — CID 122010310

IUPAC1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1(CNC(=O)N2CCC(C(=O)O)CC2)CCOC1C1CC1
InChIInChI=1S/C16H26N2O4/c1-16(6-9-22-13(16)11-2-3-11)10-17-15(21)18-7-4-12(5-8-18)14(19)20/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyOWKWGQNVMPYTST-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.70
Rot. Bonds4

About 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122010310) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122010310
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1(CNC(=O)N2CCC(C(=O)O)CC2)CCOC1C1CC1
InChIInChI=1S/C16H26N2O4/c1-16(6-9-22-13(16)11-2-3-11)10-17-15(21)18-7-4-12(5-8-18)14(19)20/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyOWKWGQNVMPYTST-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122010310) is 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CC1(CNC(=O)N2CCC(C(=O)O)CC2)CCOC1C1CC1.
What is the InChIKey of 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is OWKWGQNVMPYTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(6-9-22-13(16)11-2-3-11)10-17-15(21)18-7-4-12(5-8-18)14(19)20/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122010310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).