N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide

C15H23N3O2S — CID 119557038

IUPACN-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)NCCC1CCCNC1)C(=O)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-18(15(20)13-5-3-9-21-13)11-14(19)17-8-6-12-4-2-7-16-10-12/h3,5,9,12,16H,2,4,6-8,10-11H2,1H3,(H,17,19)
InChIKeySXIVXDGTDHAVID-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.33
Rot. Bonds6

About N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 119557038) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
PubChem CID119557038
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)NCCC1CCCNC1)C(=O)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-18(15(20)13-5-3-9-21-13)11-14(19)17-8-6-12-4-2-7-16-10-12/h3,5,9,12,16H,2,4,6-8,10-11H2,1H3,(H,17,19)
InChIKeySXIVXDGTDHAVID-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide
CID 119555101
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
CID 71641577
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide (CID 119557038) is N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide is CN(CC(=O)NCCC1CCCNC1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is SXIVXDGTDHAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(15(20)13-5-3-9-21-13)11-14(19)17-8-6-12-4-2-7-16-10-12/h3,5,9,12,16H,2,4,6-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119557038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).