N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide

C24H29N3O3S — CID 20974471

IUPACN-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESCCCCOc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-2-3-13-30-20-6-4-17(5-7-20)16-25-22(28)18-8-11-27(12-9-18)24(29)21-15-19-10-14-31-23(19)26-21/h4-7,10,14-15,18,26H,2-3,8-9,11-13,16H2,1H3,(H,25,28)
InChIKeyRJJURHFRAJZREM-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.58
Rot. Bonds8

About N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide

N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 20974471) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
PubChem CID20974471
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESCCCCOc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-2-3-13-30-20-6-4-17(5-7-20)16-25-22(28)18-8-11-27(12-9-18)24(29)21-15-19-10-14-31-23(19)26-21/h4-7,10,14-15,18,26H,2-3,8-9,11-13,16H2,1H3,(H,25,28)
InChIKeyRJJURHFRAJZREM-UHFFFAOYSA-N
XLogP4.58
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20974472
N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20974439
N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55749602
1-(2,4-difluorobenzoyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46434484
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523
N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3445741
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309434

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (CID 20974471) is N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is CCCCOc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is RJJURHFRAJZREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-2-3-13-30-20-6-4-17(5-7-20)16-25-22(28)18-8-11-27(12-9-18)24(29)21-15-19-10-14-31-23(19)26-21/h4-7,10,14-15,18,26H,2-3,8-9,11-13,16H2,1H3,(H,25,28).
What are the key properties of N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20974471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).