N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide

C19H24N2OS — CID 73253664

IUPACN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESCC1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1
InChIInChI=1S/C19H24N2OS/c1-15-4-2-10-21(14-15)17-8-6-16(7-9-17)13-20-19(22)12-18-5-3-11-23-18/h3,5-9,11,15H,2,4,10,12-14H2,1H3,(H,20,22)
InChIKeyVAXDWMNCMKHOFJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.84
Rot. Bonds5

About N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 73253664) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID73253664
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESCC1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1
InChIInChI=1S/C19H24N2OS/c1-15-4-2-10-21(14-15)17-8-6-16(7-9-17)13-20-19(22)12-18-5-3-11-23-18/h3,5-9,11,15H,2,4,10,12-14H2,1H3,(H,20,22)
InChIKeyVAXDWMNCMKHOFJ-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 86284843
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 16889915
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43898689
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide
CID 110783721

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide (CID 73253664) is N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide is CC1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1.
What is the InChIKey of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is VAXDWMNCMKHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-4-2-10-21(14-15)17-8-6-16(7-9-17)13-20-19(22)12-18-5-3-11-23-18/h3,5-9,11,15H,2,4,10,12-14H2,1H3,(H,20,22).
What are the key properties of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 328.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 73253664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).