3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

C19H30N2O2S — CID 70731474

IUPAC3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)=CCC1(CO)CCCN(CCC(=O)NCc2cccs2)C1
InChIInChI=1S/C19H30N2O2S/c1-16(2)6-9-19(15-22)8-4-10-21(14-19)11-7-18(23)20-13-17-5-3-12-24-17/h3,5-6,12,22H,4,7-11,13-15H2,1-2H3,(H,20,23)
InChIKeyPRCZHKILWAKIIR-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.19
Rot. Bonds8

About 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 70731474) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID70731474
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)=CCC1(CO)CCCN(CCC(=O)NCc2cccs2)C1
InChIInChI=1S/C19H30N2O2S/c1-16(2)6-9-19(15-22)8-4-10-21(14-19)11-7-18(23)20-13-17-5-3-12-24-17/h3,5-6,12,22H,4,7-11,13-15H2,1-2H3,(H,20,23)
InChIKeyPRCZHKILWAKIIR-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91841240
3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 91834194
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
[(3S)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97115250
3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 53298046
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide
CID 86822713
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 97148098
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 70731474) is 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is CC(C)=CCC1(CO)CCCN(CCC(=O)NCc2cccs2)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PRCZHKILWAKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16(2)6-9-19(15-22)8-4-10-21(14-19)11-7-18(23)20-13-17-5-3-12-24-17/h3,5-6,12,22H,4,7-11,13-15H2,1-2H3,(H,20,23).
What are the key properties of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 350.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 70731474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).