N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide

C14H22N2OS — CID 84593876

IUPACN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-2-5-14(17)15-12-6-3-8-16(10-12)11-13-7-4-9-18-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,15,17)
InChIKeyQSYIKVPMKKAFBC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide (PubChem CID 84593876) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
PubChem CID84593876
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-2-5-14(17)15-12-6-3-8-16(10-12)11-13-7-4-9-18-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,15,17)
InChIKeyQSYIKVPMKKAFBC-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide (CID 84593876) is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(Cc2cccs2)C1.
What is the InChIKey of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
The InChIKey is QSYIKVPMKKAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-5-14(17)15-12-6-3-8-16(10-12)11-13-7-4-9-18-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,15,17).
What are the key properties of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide has a molecular weight of 266.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 84593876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).