N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide

C18H29N3O2S — CID 31106243

IUPACN-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1ccc([C@H]2CCCN2)s1)C1CCN(C)CC1
InChIInChI=1S/C18H29N3O2S/c1-20-10-7-14(8-11-20)21(12-13-23-2)18(22)17-6-5-16(24-17)15-4-3-9-19-15/h5-6,14-15,19H,3-4,7-13H2,1-2H3/t15-/m1/s1
InChIKeyPWNZAYPLKLLBHS-OAHLLOKOSA-N
MW351.52 g/mol
LogP2.36
Rot. Bonds6

About N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide

N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 31106243) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID31106243
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1ccc([C@H]2CCCN2)s1)C1CCN(C)CC1
InChIInChI=1S/C18H29N3O2S/c1-20-10-7-14(8-11-20)21(12-13-23-2)18(22)17-6-5-16(24-17)15-4-3-9-19-15/h5-6,14-15,19H,3-4,7-13H2,1-2H3/t15-/m1/s1
InChIKeyPWNZAYPLKLLBHS-OAHLLOKOSA-N
XLogP2.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-2-yl)-methanone
CID 11695753
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2-methoxy-ethyl)-carbamoyl]-methyl}-amide
CID 649267
N-cyclohexyl-5-ethylthiophene-2-carboxamide
CID 1245810
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2477180
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]thiophene-2-carboxamide
CID 3237806
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
1'-[(5-methyl-2-thienyl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 16188614
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16196057

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide (CID 31106243) is N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide is COCCN(C(=O)c1ccc([C@H]2CCCN2)s1)C1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is PWNZAYPLKLLBHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-20-10-7-14(8-11-20)21(12-13-23-2)18(22)17-6-5-16(24-17)15-4-3-9-19-15/h5-6,14-15,19H,3-4,7-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 31106243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).