N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide

C12H17ClN2OS — CID 49439837

IUPACN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2OS/c1-9(16)14-10-4-6-15(7-5-10)8-11-2-3-12(13)17-11/h2-3,10H,4-8H2,1H3,(H,14,16)
InChIKeyZEGFRCJTAIQPQM-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.50
Rot. Bonds3

About N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide

N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 49439837) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide
PubChem CID49439837
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2OS/c1-9(16)14-10-4-6-15(7-5-10)8-11-2-3-12(13)17-11/h2-3,10H,4-8H2,1H3,(H,14,16)
InChIKeyZEGFRCJTAIQPQM-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide (CID 49439837) is N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is ZEGFRCJTAIQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-9(16)14-10-4-6-15(7-5-10)8-11-2-3-12(13)17-11/h2-3,10H,4-8H2,1H3,(H,14,16).
What are the key properties of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 272.80 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49439837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).