N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide

C12H17ClN2OS — CID 75813166

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H17ClN2OS/c1-9-3-2-6-15(8-9)12(16)14-7-10-4-5-11(13)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyZOZDGPFLFXSFPI-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.34
Rot. Bonds2

About N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 75813166) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID75813166
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H17ClN2OS/c1-9-3-2-6-15(8-9)12(16)14-7-10-4-5-11(13)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyZOZDGPFLFXSFPI-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide (CID 75813166) is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is ZOZDGPFLFXSFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-9-3-2-6-15(8-9)12(16)14-7-10-4-5-11(13)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 75813166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).