1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid

C12H18N2O3 — CID 108915708

IUPAC1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N/C=C/C2CC2)CC1
InChIInChI=1S/C12H18N2O3/c15-11(16)10-4-7-14(8-5-10)12(17)13-6-3-9-1-2-9/h3,6,9-10H,1-2,4-5,7-8H2,(H,13,17)(H,15,16)/b6-3+
InChIKeyKBCRHNHDMZSLJL-ZZXKWVIFSA-N
MW238.29 g/mol
LogP1.42
Rot. Bonds3

About 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 108915708) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID108915708
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N/C=C/C2CC2)CC1
InChIInChI=1S/C12H18N2O3/c15-11(16)10-4-7-14(8-5-10)12(17)13-6-3-9-1-2-9/h3,6,9-10H,1-2,4-5,7-8H2,(H,13,17)(H,15,16)/b6-3+
InChIKeyKBCRHNHDMZSLJL-ZZXKWVIFSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid (CID 108915708) is 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N/C=C/C2CC2)CC1.
What is the InChIKey of 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is KBCRHNHDMZSLJL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-11(16)10-4-7-14(8-5-10)12(17)13-6-3-9-1-2-9/h3,6,9-10H,1-2,4-5,7-8H2,(H,13,17)(H,15,16)/b6-3+.
What are the key properties of 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 108915708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).