5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide

C13H21N3OS — CID 79614458

IUPAC5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
SMILESCCN1CCC(NCc2cc(C(N)=O)cs2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-16-5-3-11(4-6-16)15-8-12-7-10(9-18-12)13(14)17/h7,9,11,15H,2-6,8H2,1H3,(H2,14,17)
InChIKeyYGHFVYOGSOGJST-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.42
Rot. Bonds5

About 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide

5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79614458) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
PubChem CID79614458
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
SMILESCCN1CCC(NCc2cc(C(N)=O)cs2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-16-5-3-11(4-6-16)15-8-12-7-10(9-18-12)13(14)17/h7,9,11,15H,2-6,8H2,1H3,(H2,14,17)
InChIKeyYGHFVYOGSOGJST-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103801907
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 79614310
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
CID 79614194
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
4-[5-[[(4,4-dimethylcyclohexyl)amino]methyl]thiophen-3-yl]benzamide
CID 67161069

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide (CID 79614458) is 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide is CCN1CCC(NCc2cc(C(N)=O)cs2)CC1.
What is the InChIKey of 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is YGHFVYOGSOGJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-16-5-3-11(4-6-16)15-8-12-7-10(9-18-12)13(14)17/h7,9,11,15H,2-6,8H2,1H3,(H2,14,17).
What are the key properties of 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide?
5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).