2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C15H27N3O3 — CID 87022015

IUPAC2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(OCC(C)C)CC1
InChIInChI=1S/C15H27N3O3/c1-4-7-16-15(20)17-14(19)10-18-8-5-13(6-9-18)21-11-12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H2,16,17,19,20)
InChIKeyZEWBXUBKOBLHJW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.14
Rot. Bonds7

About 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 87022015) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID87022015
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(OCC(C)C)CC1
InChIInChI=1S/C15H27N3O3/c1-4-7-16-15(20)17-14(19)10-18-8-5-13(6-9-18)21-11-12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H2,16,17,19,20)
InChIKeyZEWBXUBKOBLHJW-UHFFFAOYSA-N
XLogP1.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
CID 43037834
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
CID 37193198
3-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522344
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013
2-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370158
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2635015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 87022015) is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCC(OCC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is ZEWBXUBKOBLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-7-16-15(20)17-14(19)10-18-8-5-13(6-9-18)21-11-12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H2,16,17,19,20).
What are the key properties of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 87022015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).