N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide

C19H23N3O3S — CID 95727361

IUPACN-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
SMILESCOc1ccc(N[C@@H]2CCCN(C(=O)c3sccc3NC(C)=O)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(23)20-17-9-11-26-18(17)19(24)22-10-3-4-15(12-22)21-14-5-7-16(25-2)8-6-14/h5-9,11,15,21H,3-4,10,12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFUECLQRYKJQXMB-OAHLLOKOSA-N
MW373.48 g/mol
LogP3.43
Rot. Bonds5

About N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide

N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide (PubChem CID 95727361) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
PubChem CID95727361
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
SMILESCOc1ccc(N[C@@H]2CCCN(C(=O)c3sccc3NC(C)=O)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(23)20-17-9-11-26-18(17)19(24)22-10-3-4-15(12-22)21-14-5-7-16(25-2)8-6-14/h5-9,11,15,21H,3-4,10,12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFUECLQRYKJQXMB-OAHLLOKOSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25279248
N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide
CID 56881549
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
3-[3-(4-methoxyanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45172660
1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25275365
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
[3-(4-methoxyanilino)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 56910760
(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 95722969
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide (CID 95727361) is N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide is COc1ccc(N[C@@H]2CCCN(C(=O)c3sccc3NC(C)=O)C2)cc1.
What is the InChIKey of N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide?
The InChIKey is FUECLQRYKJQXMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(23)20-17-9-11-26-18(17)19(24)22-10-3-4-15(12-22)21-14-5-7-16(25-2)8-6-14/h5-9,11,15,21H,3-4,10,12H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide?
N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 95727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).