N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide

C12H17ClN2OS — CID 43705040

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-8(10-2-3-11(13)17-10)15-12(16)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)
InChIKeySQSCYOQSYOHFJI-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 43705040) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID43705040
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-8(10-2-3-11(13)17-10)15-12(16)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)
InChIKeySQSCYOQSYOHFJI-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46575630
1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97088653
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901259
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428229
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705073
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide (CID 43705040) is N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCNCC1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is SQSCYOQSYOHFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-8(10-2-3-11(13)17-10)15-12(16)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43705040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).