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

C22H32N4O2S — CID 20883520

IUPAC1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCCn1c(C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc2sccc21
InChIInChI=1S/C22H32N4O2S/c1-2-26-18-8-15-29-20(18)16-19(26)22(28)25-13-6-17(7-14-25)21(27)23-9-5-12-24-10-3-4-11-24/h8,15-17H,2-7,9-14H2,1H3,(H,23,27)
InChIKeyGZDXWDHUTXVHCJ-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.18
Rot. Bonds7

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

1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 20883520) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID20883520
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCCn1c(C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc2sccc21
InChIInChI=1S/C22H32N4O2S/c1-2-26-18-8-15-29-20(18)16-19(26)22(28)25-13-6-17(7-14-25)21(27)23-9-5-12-24-10-3-4-11-24/h8,15-17H,2-7,9-14H2,1H3,(H,23,27)
InChIKeyGZDXWDHUTXVHCJ-UHFFFAOYSA-N
XLogP3.18
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017354
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-(2,2-diethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017353
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667712
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
[1-[4-(cyclohexylmethyl)thieno[3,2-b]pyrrole-5-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 67053657
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038954
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
1-[1-(2-fluorophenyl)pyrazole-4-carbonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 86873365

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (CID 20883520) is 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is CCn1c(C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc2sccc21.
What is the InChIKey of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is GZDXWDHUTXVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-2-26-18-8-15-29-20(18)16-19(26)22(28)25-13-6-17(7-14-25)21(27)23-9-5-12-24-10-3-4-11-24/h8,15-17H,2-7,9-14H2,1H3,(H,23,27).
What are the key properties of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 20883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).