3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide

C16H19N3OS — CID 61110951

IUPAC3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H19N3OS/c17-14-8-11-21-15(14)16(20)18-12-4-6-13(7-5-12)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,17H2,(H,18,20)
InChIKeyDVLQDVMWLIQNSC-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.57
Rot. Bonds3

About 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide

3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 61110951) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID61110951
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H19N3OS/c17-14-8-11-21-15(14)16(20)18-12-4-6-13(7-5-12)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,17H2,(H,18,20)
InChIKeyDVLQDVMWLIQNSC-UHFFFAOYSA-N
XLogP3.57
TPSA58.36 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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 61110938
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 61117853
1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
CID 108889200
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide (CID 61110951) is 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is DVLQDVMWLIQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-14-8-11-21-15(14)16(20)18-12-4-6-13(7-5-12)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,17H2,(H,18,20).
What are the key properties of 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide?
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 61110951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).