2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid

C14H22N2O3 — CID 61193412

IUPAC2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESC=CCN(CC=C)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H22N2O3/c1-3-8-15(9-4-2)14(19)16-10-6-5-7-12(16)11-13(17)18/h3-4,12H,1-2,5-11H2,(H,17,18)
InChIKeyGLKJSEGGUZKBQZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61193412) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61193412
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESC=CCN(CC=C)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H22N2O3/c1-3-8-15(9-4-2)14(19)16-10-6-5-7-12(16)11-13(17)18/h3-4,12H,1-2,5-11H2,(H,17,18)
InChIKeyGLKJSEGGUZKBQZ-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[bis(prop-2-enyl)carbamoyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80515081
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79285121
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
CID 113466834
2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61447659
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61439282
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid
CID 61010954
2-[1-(3-methylbut-2-enoyl)piperidin-2-yl]acetic acid
CID 61009139

Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61193412) is 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid is C=CCN(CC=C)C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is GLKJSEGGUZKBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-8-15(9-4-2)14(19)16-10-6-5-7-12(16)11-13(17)18/h3-4,12H,1-2,5-11H2,(H,17,18).
What are the key properties of 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61193412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).