N-(1-prop-2-enoylpiperidin-3-yl)acetamide

C10H16N2O2 — CID 60949044

IUPACN-(1-prop-2-enoylpiperidin-3-yl)acetamide
SMILESC=CC(=O)N1CCCC(NC(C)=O)C1
InChIInChI=1S/C10H16N2O2/c1-3-10(14)12-6-4-5-9(7-12)11-8(2)13/h3,9H,1,4-7H2,2H3,(H,11,13)
InChIKeyZZLHIZKZVDJCJQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds2

About N-(1-prop-2-enoylpiperidin-3-yl)acetamide

N-(1-prop-2-enoylpiperidin-3-yl)acetamide (PubChem CID 60949044) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(1-prop-2-enoylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-prop-2-enoylpiperidin-3-yl)acetamide
PubChem CID60949044
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(1-prop-2-enoylpiperidin-3-yl)acetamide
SMILESC=CC(=O)N1CCCC(NC(C)=O)C1
InChIInChI=1S/C10H16N2O2/c1-3-10(14)12-6-4-5-9(7-12)11-8(2)13/h3,9H,1,4-7H2,2H3,(H,11,13)
InChIKeyZZLHIZKZVDJCJQ-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
CID 175800552
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286
[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
CID 155344249
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 176702681
trans-(1S,2S)-2-[(3R)-3-acetamidopiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378578
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane
CID 172623481

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enoylpiperidin-3-yl)acetamide?
The IUPAC name of N-(1-prop-2-enoylpiperidin-3-yl)acetamide (CID 60949044) is N-(1-prop-2-enoylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-(1-prop-2-enoylpiperidin-3-yl)acetamide?
The canonical SMILES for N-(1-prop-2-enoylpiperidin-3-yl)acetamide is C=CC(=O)N1CCCC(NC(C)=O)C1.
What is the InChIKey of N-(1-prop-2-enoylpiperidin-3-yl)acetamide?
The InChIKey is ZZLHIZKZVDJCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-10(14)12-6-4-5-9(7-12)11-8(2)13/h3,9H,1,4-7H2,2H3,(H,11,13).
What are the key properties of N-(1-prop-2-enoylpiperidin-3-yl)acetamide?
N-(1-prop-2-enoylpiperidin-3-yl)acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enoylpiperidin-3-yl)acetamide is sourced from PubChem (CID 60949044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).