N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide

C18H21N3O2S — CID 110822080

IUPACN-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2cccs2)CC1)c1cccnc1
InChIInChI=1S/C18H21N3O2S/c22-17(6-5-16-4-2-12-24-16)21-10-7-15(8-11-21)20-18(23)14-3-1-9-19-13-14/h1-4,9,12-13,15H,5-8,10-11H2,(H,20,23)
InChIKeyXDCGAOTZZQOJIR-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 110822080) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID110822080
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2cccs2)CC1)c1cccnc1
InChIInChI=1S/C18H21N3O2S/c22-17(6-5-16-4-2-12-24-16)21-10-7-15(8-11-21)20-18(23)14-3-1-9-19-13-14/h1-4,9,12-13,15H,5-8,10-11H2,(H,20,23)
InChIKeyXDCGAOTZZQOJIR-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 56566905
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 110822080) is N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)CCc2cccs2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XDCGAOTZZQOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(6-5-16-4-2-12-24-16)21-10-7-15(8-11-21)20-18(23)14-3-1-9-19-13-14/h1-4,9,12-13,15H,5-8,10-11H2,(H,20,23).
What are the key properties of N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110822080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).