N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide

C19H27N3O4S — CID 82017354

IUPACN-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESCCn1c(C(=O)N2CCC(C(=O)NCC(OC)OC)CC2)cc2sccc21
InChIInChI=1S/C19H27N3O4S/c1-4-22-14-7-10-27-16(14)11-15(22)19(24)21-8-5-13(6-9-21)18(23)20-12-17(25-2)26-3/h7,10-11,13,17H,4-6,8-9,12H2,1-3H3,(H,20,23)
InChIKeyDWUVHYUPJBTJMR-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.31
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide

N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 82017354) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
PubChem CID82017354
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESCCn1c(C(=O)N2CCC(C(=O)NCC(OC)OC)CC2)cc2sccc21
InChIInChI=1S/C19H27N3O4S/c1-4-22-14-7-10-27-16(14)11-15(22)19(24)21-8-5-13(6-9-21)18(23)20-12-17(25-2)26-3/h7,10-11,13,17H,4-6,8-9,12H2,1-3H3,(H,20,23)
InChIKeyDWUVHYUPJBTJMR-UHFFFAOYSA-N
XLogP2.31
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017353
1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 20883520
N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667712
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
ethyl 4-[1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 5308985
N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 127038782
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038954
ethyl 1-[4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038973
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667716
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20883572
N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 75768805
[1-[4-(cyclohexylmethyl)thieno[3,2-b]pyrrole-5-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 67053657

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (CID 82017354) is N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is CCn1c(C(=O)N2CCC(C(=O)NCC(OC)OC)CC2)cc2sccc21.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is DWUVHYUPJBTJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-22-14-7-10-27-16(14)11-15(22)19(24)21-8-5-13(6-9-21)18(23)20-12-17(25-2)26-3/h7,10-11,13,17H,4-6,8-9,12H2,1-3H3,(H,20,23).
What are the key properties of N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 82017354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).