1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide

C14H23N3OS — CID 103194728

IUPAC1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(CN)c2sccc2C)C1
InChIInChI=1S/C14H23N3OS/c1-10-5-7-19-13(10)12(8-15)17-6-3-4-11(9-17)14(18)16-2/h5,7,11-12H,3-4,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyWZTXCOROHJITSL-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide

1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194728) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194728
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(CN)c2sccc2C)C1
InChIInChI=1S/C14H23N3OS/c1-10-5-7-19-13(10)12(8-15)17-6-3-4-11(9-17)14(18)16-2/h5,7,11-12H,3-4,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyWZTXCOROHJITSL-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 81198317
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 90496727
4-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-1,4-diazepan-2-one
CID 65361566
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide (CID 103194728) is 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(CN)c2sccc2C)C1.
What is the InChIKey of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is WZTXCOROHJITSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-5-7-19-13(10)12(8-15)17-6-3-4-11(9-17)14(18)16-2/h5,7,11-12H,3-4,6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide?
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).