3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride

C13H21ClN2OS — CID 119788959

IUPAC3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccsc1)C1CCNCC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10(11-2-5-14-6-3-11)8-13(16)15-12-4-7-17-9-12;/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,15,16);1H
InChIKeyBIISLRYZBCIELG-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.13
Rot. Bonds4

About 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride

3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride (PubChem CID 119788959) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
PubChem CID119788959
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccsc1)C1CCNCC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10(11-2-5-14-6-3-11)8-13(16)15-12-4-7-17-9-12;/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,15,16);1H
InChIKeyBIISLRYZBCIELG-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride (CID 119788959) is 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccsc1)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride?
The InChIKey is BIISLRYZBCIELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-10(11-2-5-14-6-3-11)8-13(16)15-12-4-7-17-9-12;/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,15,16);1H.
What are the key properties of 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride?
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119788959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).