2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

C12H21N3O2 — CID 51170634

IUPAC2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCCC(C)C1
InChIInChI=1S/C12H21N3O2/c1-3-6-13-12(17)14-11(16)9-15-7-4-5-10(2)8-15/h3,10H,1,4-9H2,2H3,(H2,13,14,16,17)
InChIKeyOSKUJPRYXCMTDO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.73
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 51170634) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID51170634
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCCC(C)C1
InChIInChI=1S/C12H21N3O2/c1-3-6-13-12(17)14-11(16)9-15-7-4-5-10(2)8-15/h3,10H,1,4-9H2,2H3,(H2,13,14,16,17)
InChIKeyOSKUJPRYXCMTDO-UHFFFAOYSA-N
XLogP0.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 87022015
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 62014153

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 51170634) is 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCCC(C)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is OSKUJPRYXCMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-6-13-12(17)14-11(16)9-15-7-4-5-10(2)8-15/h3,10H,1,4-9H2,2H3,(H2,13,14,16,17).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 51170634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).