5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide

C16H19N3OS — CID 174480968

IUPAC5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCN(c3ccccc3N)CC2)s1
InChIInChI=1S/C16H19N3OS/c17-12-3-1-2-4-13(12)19-9-7-11(8-10-19)14-5-6-15(21-14)16(18)20/h1-6,11H,7-10,17H2,(H2,18,20)
InChIKeyFZTBJXQGXQDVRM-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.81
Rot. Bonds3

About 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide

5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 174480968) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID174480968
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCN(c3ccccc3N)CC2)s1
InChIInChI=1S/C16H19N3OS/c17-12-3-1-2-4-13(12)19-9-7-11(8-10-19)14-5-6-15(21-14)16(18)20/h1-6,11H,7-10,17H2,(H2,18,20)
InChIKeyFZTBJXQGXQDVRM-UHFFFAOYSA-N
XLogP2.81
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.81
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

2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45180406
2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide
CID 91642582
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide (CID 174480968) is 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide is NC(=O)c1ccc(C2CCN(c3ccccc3N)CC2)s1.
What is the InChIKey of 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is FZTBJXQGXQDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-12-3-1-2-4-13(12)19-9-7-11(8-10-19)14-5-6-15(21-14)16(18)20/h1-6,11H,7-10,17H2,(H2,18,20).
What are the key properties of 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide?
5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 174480968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).