2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide

C17H26N2OS — CID 131926484

IUPAC2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)CC1CCCCN1C
InChIInChI=1S/C17H26N2OS/c1-4-10-19(13-16-9-8-14(2)21-16)17(20)12-15-7-5-6-11-18(15)3/h4,8-9,15H,1,5-7,10-13H2,2-3H3
InChIKeyLVGPDFOOGOIPAG-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.45
Rot. Bonds6

About 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide

2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide (PubChem CID 131926484) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide
PubChem CID131926484
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)CC1CCCCN1C
InChIInChI=1S/C17H26N2OS/c1-4-10-19(13-16-9-8-14(2)21-16)17(20)12-15-7-5-6-11-18(15)3/h4,8-9,15H,1,5-7,10-13H2,2-3H3
InChIKeyLVGPDFOOGOIPAG-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 99943673
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 50967291
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119688630
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 135114822
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 131922742
2-[2-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 60685130
1,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 131948660
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78942109
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-(1-methylpiperidin-2-yl)acetamide
CID 50973228
2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
CID 131934666
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide
CID 4039645

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide (CID 131926484) is 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(C)s1)C(=O)CC1CCCCN1C.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The InChIKey is LVGPDFOOGOIPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-10-19(13-16-9-8-14(2)21-16)17(20)12-15-7-5-6-11-18(15)3/h4,8-9,15H,1,5-7,10-13H2,2-3H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide?
2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide has a molecular weight of 306.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 131926484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).