1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide

C15H17N3O2S — CID 61091669

IUPAC1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc3cc(N)ccc3s2)C1
InChIInChI=1S/C15H17N3O2S/c16-11-3-4-12-10(6-11)7-13(21-12)15(20)18-5-1-2-9(8-18)14(17)19/h3-4,6-7,9H,1-2,5,8,16H2,(H2,17,19)
InChIKeyQUJULCMUUGSAFX-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.82
Rot. Bonds2

About 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide

1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 61091669) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID61091669
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc3cc(N)ccc3s2)C1
InChIInChI=1S/C15H17N3O2S/c16-11-3-4-12-10(6-11)7-13(21-12)15(20)18-5-1-2-9(8-18)14(17)19/h3-4,6-7,9H,1-2,5,8,16H2,(H2,17,19)
InChIKeyQUJULCMUUGSAFX-UHFFFAOYSA-N
XLogP1.82
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-1-benzothiophen-2-yl)-(azocan-1-yl)methanone
CID 61094330
(5-amino-1-benzothiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211712
(5-amino-1-benzothiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 11994539
(5-amino-1-benzothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677503
(5-amino-1-benzothiophen-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64571213
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
(5-amino-1-benzothiophen-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957650
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carbothioamide
CID 81115576
[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69453906
(5-amino-1-benzothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 61093044
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(5-amino-1-benzothiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763041

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide (CID 61091669) is 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cc3cc(N)ccc3s2)C1.
What is the InChIKey of 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is QUJULCMUUGSAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-11-3-4-12-10(6-11)7-13(21-12)15(20)18-5-1-2-9(8-18)14(17)19/h3-4,6-7,9H,1-2,5,8,16H2,(H2,17,19).
What are the key properties of 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide?
1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 61091669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).