N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H23N3O2S — CID 120818482

IUPACN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CCC(N)C(C)(C)C1)C(=O)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-15(2)10-18(7-6-12(15)16)13(19)9-17(3)14(20)11-5-4-8-21-11/h4-5,8,12H,6-7,9-10,16H2,1-3H3
InChIKeyQRRFTADSFSLPCL-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.41
Rot. Bonds3

About N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 120818482) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID120818482
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CCC(N)C(C)(C)C1)C(=O)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-15(2)10-18(7-6-12(15)16)13(19)9-17(3)14(20)11-5-4-8-21-11/h4-5,8,12H,6-7,9-10,16H2,1-3H3
InChIKeyQRRFTADSFSLPCL-UHFFFAOYSA-N
XLogP1.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 120815960
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119623355
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119636972
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119623354
N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97062017
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119594587
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122118795
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61410795
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide
CID 62898126
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120744714
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120815183

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 120818482) is N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)N1CCC(N)C(C)(C)C1)C(=O)c1cccs1.
What is the InChIKey of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is QRRFTADSFSLPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2)10-18(7-6-12(15)16)13(19)9-17(3)14(20)11-5-4-8-21-11/h4-5,8,12H,6-7,9-10,16H2,1-3H3.
What are the key properties of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 120818482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).