3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride

C15H25ClN2OS — CID 119687075

IUPAC3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccs1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(13-5-3-7-16-10-13)9-15(18)17-12(2)14-6-4-8-19-14;/h4,6,8,11-13,16H,3,5,7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyUSBLSHZNPNQLOM-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.37
Rot. Bonds5

About 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride

3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride (PubChem CID 119687075) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
PubChem CID119687075
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccs1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(13-5-3-7-16-10-13)9-15(18)17-12(2)14-6-4-8-19-14;/h4,6,8,11-13,16H,3,5,7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyUSBLSHZNPNQLOM-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736178
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898116
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride (CID 119687075) is 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1cccs1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride?
The InChIKey is USBLSHZNPNQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-11(13-5-3-7-16-10-13)9-15(18)17-12(2)14-6-4-8-19-14;/h4,6,8,11-13,16H,3,5,7,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride?
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119687075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).