3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid

C10H16N2O3 — CID 79895989

IUPAC3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid
SMILESCNC(=O)C1CCN(C=CC(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-11-10(15)8-2-5-12(6-3-8)7-4-9(13)14/h4,7-8H,2-3,5-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyZKVWFCFMYDTVCU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.04
Rot. Bonds3

About 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid

3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid (PubChem CID 79895989) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid
PubChem CID79895989
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid
SMILESCNC(=O)C1CCN(C=CC(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-11-10(15)8-2-5-12(6-3-8)7-4-9(13)14/h4,7-8H,2-3,5-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyZKVWFCFMYDTVCU-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-piperidin-1-ylprop-2-enoic acid
CID 21292232
1-formyl-N-methylpyrrolidine-3-carboxamide
CID 87281380
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
3-methyl-4-[4-(methylcarbamoyl)piperidin-1-yl]but-2-enoic acid
CID 77005834
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-enoic acid
CID 79896700
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
1-prop-1-enylpiperidine-4-carboxylic acid
CID 59113362
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
CID 79406833
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid?
The IUPAC name of 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid (CID 79895989) is 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid is CNC(=O)C1CCN(C=CC(=O)O)CC1.
What is the InChIKey of 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid?
The InChIKey is ZKVWFCFMYDTVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11-10(15)8-2-5-12(6-3-8)7-4-9(13)14/h4,7-8H,2-3,5-6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid?
3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid is sourced from PubChem (CID 79895989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).