1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid

C10H16N2O3 — CID 28512933

IUPAC1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid
SMILESC=CCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-8(4-7-12)9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)
InChIKeyIDCFUXMYUGSCOM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds3

About 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid

1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 28512933) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID28512933
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid
SMILESC=CCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-8(4-7-12)9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)
InChIKeyIDCFUXMYUGSCOM-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
4-[[4-(Fluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021921
1-(Ethylcarbamoyl)piperidine-4-carboxylic acid
CID 16228285
1-[2-Oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxylic acid
CID 22322911
Ethane;1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 143541781
4-(Prop-2-enylcarbamoyl)piperidine-1-carboxylic acid
CID 174559500
1-[(Propylamino)carbonyl]piperidine-4-carboxylic acid
CID 16228219
4-[(4-Methylpiperidine-1-carbonyl)amino]butanoic acid
CID 28511265
4-[(4-Carbamoylpiperidine-1-carbonyl)amino]butanoic acid
CID 28511462

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid (CID 28512933) is 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid is C=CCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is IDCFUXMYUGSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-8(4-7-12)9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14).
What are the key properties of 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid?
1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28512933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).