N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide

C13H20N2OS — CID 120601265

IUPACN-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
SMILESCC1CC(NC(=O)CCc2ccsc2)CCN1
InChIInChI=1S/C13H20N2OS/c1-10-8-12(4-6-14-10)15-13(16)3-2-11-5-7-17-9-11/h5,7,9-10,12,14H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyXWKCVDOWPUNHCX-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.94
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide

N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide (PubChem CID 120601265) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
PubChem CID120601265
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
SMILESCC1CC(NC(=O)CCc2ccsc2)CCN1
InChIInChI=1S/C13H20N2OS/c1-10-8-12(4-6-14-10)15-13(16)3-2-11-5-7-17-9-11/h5,7,9-10,12,14H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyXWKCVDOWPUNHCX-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide
CID 106995263
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600380
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
3-(furan-2-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995480
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide (CID 120601265) is N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide is CC1CC(NC(=O)CCc2ccsc2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is XWKCVDOWPUNHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-8-12(4-6-14-10)15-13(16)3-2-11-5-7-17-9-11/h5,7,9-10,12,14H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide?
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 252.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 120601265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).