N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide

C17H28N2OS — CID 119804198

IUPACN-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
SMILESCC(CNC(=O)CC(C)C1CCNCC1)Cc1cccs1
InChIInChI=1S/C17H28N2OS/c1-13(10-16-4-3-9-21-16)12-19-17(20)11-14(2)15-5-7-18-8-6-15/h3-4,9,13-15,18H,5-8,10-12H2,1-2H3,(H,19,20)
InChIKeyIRBPZLFFXXWUBZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.07
Rot. Bonds7

About N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide

N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide (PubChem CID 119804198) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
PubChem CID119804198
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
SMILESCC(CNC(=O)CC(C)C1CCNCC1)Cc1cccs1
InChIInChI=1S/C17H28N2OS/c1-13(10-16-4-3-9-21-16)12-19-17(20)11-14(2)15-5-7-18-8-6-15/h3-4,9,13-15,18H,5-8,10-12H2,1-2H3,(H,19,20)
InChIKeyIRBPZLFFXXWUBZ-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
CID 119830049
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727881
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide (CID 119804198) is N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide is CC(CNC(=O)CC(C)C1CCNCC1)Cc1cccs1.
What is the InChIKey of N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide?
The InChIKey is IRBPZLFFXXWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-13(10-16-4-3-9-21-16)12-19-17(20)11-14(2)15-5-7-18-8-6-15/h3-4,9,13-15,18H,5-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide?
N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide has a molecular weight of 308.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119804198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).