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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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).