3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid

C15H24N2O3 — CID 62216358

IUPAC3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESC=CCN(CC=C)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-3-9-16(10-4-2)15(20)17-11-7-13(8-12-17)5-6-14(18)19/h3-4,13H,1-2,5-12H2,(H,18,19)
InChIKeyIRTPQWIKIRIGLC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.36
Rot. Bonds7

About 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid

3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62216358) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62216358
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESC=CCN(CC=C)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-3-9-16(10-4-2)15(20)17-11-7-13(8-12-17)5-6-14(18)19/h3-4,13H,1-2,5-12H2,(H,18,19)
InChIKeyIRTPQWIKIRIGLC-UHFFFAOYSA-N
XLogP2.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid (CID 62216358) is 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid is C=CCN(CC=C)C(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is IRTPQWIKIRIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-9-16(10-4-2)15(20)17-11-7-13(8-12-17)5-6-14(18)19/h3-4,13H,1-2,5-12H2,(H,18,19).
What are the key properties of 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).