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

C13H20N2OS — CID 113400474

IUPACN-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCC1(CNC(=O)Cc2cccs2)CCCNC1
InChIInChI=1S/C13H20N2OS/c1-13(5-3-6-14-9-13)10-15-12(16)8-11-4-2-7-17-11/h2,4,7,14H,3,5-6,8-10H2,1H3,(H,15,16)
InChIKeyMANDETGIMCTOTG-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.80
Rot. Bonds4

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

N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 113400474) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID113400474
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCC1(CNC(=O)Cc2cccs2)CCCNC1
InChIInChI=1S/C13H20N2OS/c1-13(5-3-6-14-9-13)10-15-12(16)8-11-4-2-7-17-11/h2,4,7,14H,3,5-6,8-10H2,1H3,(H,15,16)
InChIKeyMANDETGIMCTOTG-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
CID 115364188
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 75484639
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 113400474) is N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide is CC1(CNC(=O)Cc2cccs2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is MANDETGIMCTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(5-3-6-14-9-13)10-15-12(16)8-11-4-2-7-17-11/h2,4,7,14H,3,5-6,8-10H2,1H3,(H,15,16).
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113400474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).