N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C17H25N3O2S — CID 119623355

IUPACN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CCC(NCC2CC2)CC1)C(=O)c1cccs1
InChIInChI=1S/C17H25N3O2S/c1-19(17(22)15-3-2-10-23-15)12-16(21)20-8-6-14(7-9-20)18-11-13-4-5-13/h2-3,10,13-14,18H,4-9,11-12H2,1H3
InChIKeyLWJISJNDZYIHCH-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.81
Rot. Bonds6

About N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 119623355) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID119623355
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CCC(NCC2CC2)CC1)C(=O)c1cccs1
InChIInChI=1S/C17H25N3O2S/c1-19(17(22)15-3-2-10-23-15)12-16(21)20-8-6-14(7-9-20)18-11-13-4-5-13/h2-3,10,13-14,18H,4-9,11-12H2,1H3
InChIKeyLWJISJNDZYIHCH-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119623354
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120818482
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119636972
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
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119622425
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-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 51096132
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55605437
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 119623355) is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)N1CCC(NCC2CC2)CC1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LWJISJNDZYIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-19(17(22)15-3-2-10-23-15)12-16(21)20-8-6-14(7-9-20)18-11-13-4-5-13/h2-3,10,13-14,18H,4-9,11-12H2,1H3.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 119623355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).