2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C16H24N2O2S — CID 115873504

IUPAC2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1CCCC(C)(O)C1
InChIInChI=1S/C16H24N2O2S/c1-3-8-18(11-14-6-4-10-21-14)15(19)12-17-9-5-7-16(2,20)13-17/h3-4,6,10,20H,1,5,7-9,11-13H2,2H3
InChIKeySRFPGJMCMFFFQB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.11
Rot. Bonds6

About 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 115873504) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID115873504
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1CCCC(C)(O)C1
InChIInChI=1S/C16H24N2O2S/c1-3-8-18(11-14-6-4-10-21-14)15(19)12-17-9-5-7-16(2,20)13-17/h3-4,6,10,20H,1,5,7-9,11-13H2,2H3
InChIKeySRFPGJMCMFFFQB-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104975631
2-[(3S)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104977075
2-[2-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 60685130
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78942109
2-(2-methylpiperazin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 62674229
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86915725
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43028497

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 115873504) is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CN1CCCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SRFPGJMCMFFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-8-18(11-14-6-4-10-21-14)15(19)12-17-9-5-7-16(2,20)13-17/h3-4,6,10,20H,1,5,7-9,11-13H2,2H3.
What are the key properties of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 115873504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).