4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

C20H24N2O3S — CID 122571890

IUPAC4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCCCOC1CCCN(C(=O)c2cccc(-c3csc(C(N)=O)c3)c2)C1
InChIInChI=1S/C20H24N2O3S/c1-2-9-25-17-7-4-8-22(12-17)20(24)15-6-3-5-14(10-15)16-11-18(19(21)23)26-13-16/h3,5-6,10-11,13,17H,2,4,7-9,12H2,1H3,(H2,21,23)
InChIKeyWCPBRTIFIQWZTR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.55
Rot. Bonds6

About 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 122571890) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID122571890
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCCCOC1CCCN(C(=O)c2cccc(-c3csc(C(N)=O)c3)c2)C1
InChIInChI=1S/C20H24N2O3S/c1-2-9-25-17-7-4-8-22(12-17)20(24)15-6-3-5-14(10-15)16-11-18(19(21)23)26-13-16/h3,5-6,10-11,13,17H,2,4,7-9,12H2,1H3,(H2,21,23)
InChIKeyWCPBRTIFIQWZTR-UHFFFAOYSA-N
XLogP3.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-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

2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126447935
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
[(3S)-3-propoxypiperidin-1-yl]-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
CID 125440514
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(3-propoxypiperidin-1-yl)-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 122558431
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(3-aminophenyl)-(4-propoxyazepan-1-yl)methanone;hydrochloride
CID 119780021

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 122571890) is 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is CCCOC1CCCN(C(=O)c2cccc(-c3csc(C(N)=O)c3)c2)C1.
What is the InChIKey of 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is WCPBRTIFIQWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-9-25-17-7-4-8-22(12-17)20(24)15-6-3-5-14(10-15)16-11-18(19(21)23)26-13-16/h3,5-6,10-11,13,17H,2,4,7-9,12H2,1H3,(H2,21,23).
What are the key properties of 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 122571890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).