N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide

C18H25N3O2S — CID 20883463

IUPACN-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1
InChIInChI=1S/C18H25N3O2S/c1-4-12(2)19-17(22)13-6-5-8-21(11-13)18(23)15-10-16-14(20(15)3)7-9-24-16/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,19,22)
InChIKeyOOGJVSXMDFTRIB-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.01
Rot. Bonds4

About N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide

N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 20883463) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
PubChem CID20883463
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1
InChIInChI=1S/C18H25N3O2S/c1-4-12(2)19-17(22)13-6-5-8-21(11-13)18(23)15-10-16-14(20(15)3)7-9-24-16/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,19,22)
InChIKeyOOGJVSXMDFTRIB-UHFFFAOYSA-N
XLogP3.01
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883468
ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 5309298
(3R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 92667685
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 122176166
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367549
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763251
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20883572

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide (CID 20883463) is N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide is CCC(C)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1.
What is the InChIKey of N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is OOGJVSXMDFTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-12(2)19-17(22)13-6-5-8-21(11-13)18(23)15-10-16-14(20(15)3)7-9-24-16/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,19,22).
What are the key properties of N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 20883463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).