N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide

C13H20N2OS — CID 65241369

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCNC2)sc1C
InChIInChI=1S/C13H20N2OS/c1-9-6-12(17-10(9)2)8-15-13(16)11-4-3-5-14-7-11/h6,11,14H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyNOCHKEFHKWRUHT-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.98
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide

N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 65241369) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
PubChem CID65241369
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCNC2)sc1C
InChIInChI=1S/C13H20N2OS/c1-9-6-12(17-10(9)2)8-15-13(16)11-4-3-5-14-7-11/h6,11,14H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyNOCHKEFHKWRUHT-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 65241372
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031355
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 97315326
(2R,5S)-5-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945358
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 83631129
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429190
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide (CID 65241369) is N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCCNC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NOCHKEFHKWRUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-6-12(17-10(9)2)8-15-13(16)11-4-3-5-14-7-11/h6,11,14H,3-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 65241369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).