N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide

C11H20N2O — CID 51116338

IUPACN-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
SMILESC=CCN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C11H20N2O/c1-3-6-13-7-4-11(5-8-13)9-12-10(2)14/h3,11H,1,4-9H2,2H3,(H,12,14)
InChIKeyNVXTWBOHJSICDW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.02
Rot. Bonds4

About N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide

N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide (PubChem CID 51116338) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
PubChem CID51116338
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
SMILESC=CCN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C11H20N2O/c1-3-6-13-7-4-11(5-8-13)9-12-10(2)14/h3,11H,1,4-9H2,2H3,(H,12,14)
InChIKeyNVXTWBOHJSICDW-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
CID 105346505
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride
CID 159798252
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 102736543
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
CID 103931700
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575

Frequently Asked Questions

What is the IUPAC name of N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide (CID 51116338) is N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide is C=CCN1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide?
The InChIKey is NVXTWBOHJSICDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-6-13-7-4-11(5-8-13)9-12-10(2)14/h3,11H,1,4-9H2,2H3,(H,12,14).
What are the key properties of N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide?
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide has a molecular weight of 196.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 51116338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).