5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

C19H29N3O3S — CID 45228855

IUPAC5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCOCC(=O)N1CCCC1c1ccc(C(=O)NCCN2CCCCC2)s1
InChIInChI=1S/C19H29N3O3S/c1-25-14-18(23)22-12-5-6-15(22)16-7-8-17(26-16)19(24)20-9-13-21-10-3-2-4-11-21/h7-8,15H,2-6,9-14H2,1H3,(H,20,24)
InChIKeyHFAPPZXBSDGMCF-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.27
Rot. Bonds7

About 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 45228855) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID45228855
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCOCC(=O)N1CCCC1c1ccc(C(=O)NCCN2CCCCC2)s1
InChIInChI=1S/C19H29N3O3S/c1-25-14-18(23)22-12-5-6-15(22)16-7-8-17(26-16)19(24)20-9-13-21-10-3-2-4-11-21/h7-8,15H,2-6,9-14H2,1H3,(H,20,24)
InChIKeyHFAPPZXBSDGMCF-UHFFFAOYSA-N
XLogP2.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
(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
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
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16196057
ethyl (1R,5S)-3-[2-(thiophene-2-carbonylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70685587
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
CID 4807552
4-Ethyl-5-methyl-N-(2-methyl-2-morpholinopropyl)thiophene-2-carboxamide
CID 24981570
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]-2-(thiophen-2-YL)acetamide
CID 3237199

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (CID 45228855) is 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is COCC(=O)N1CCCC1c1ccc(C(=O)NCCN2CCCCC2)s1.
What is the InChIKey of 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is HFAPPZXBSDGMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-14-18(23)22-12-5-6-15(22)16-7-8-17(26-16)19(24)20-9-13-21-10-3-2-4-11-21/h7-8,15H,2-6,9-14H2,1H3,(H,20,24).
What are the key properties of 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45228855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).