N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide

C16H26N2OS — CID 83031355

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)C2CCCNC2)sc1C
InChIInChI=1S/C16H26N2OS/c1-11-8-14(20-12(11)2)10-18-15(19)16(3,4)13-6-5-7-17-9-13/h8,13,17H,5-7,9-10H2,1-4H3,(H,18,19)
InChIKeyDCLCEMCOGVQGGC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.01
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83031355) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83031355
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)C2CCCNC2)sc1C
InChIInChI=1S/C16H26N2OS/c1-11-8-14(20-12(11)2)10-18-15(19)16(3,4)13-6-5-7-17-9-13/h8,13,17H,5-7,9-10H2,1-4H3,(H,18,19)
InChIKeyDCLCEMCOGVQGGC-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
CID 65241369
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 65241372
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83199626
2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-3-ylpropanamide
CID 106381229
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
N-[(3-methoxyphenyl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034070
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83034566
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83032301
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide (CID 83031355) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide is Cc1cc(CNC(=O)C(C)(C)C2CCCNC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is DCLCEMCOGVQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11-8-14(20-12(11)2)10-18-15(19)16(3,4)13-6-5-7-17-9-13/h8,13,17H,5-7,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 294.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83031355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).