N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

C16H19N3OS — CID 51087555

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cccs1
InChIInChI=1S/C16H19N3OS/c20-16(15-5-3-11-21-15)18-13-6-9-19(10-7-13)12-14-4-1-2-8-17-14/h1-5,8,11,13H,6-7,9-10,12H2,(H,18,20)
InChIKeyZTSIEAZKNSDVOF-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 51087555) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID51087555
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cccs1
InChIInChI=1S/C16H19N3OS/c20-16(15-5-3-11-21-15)18-13-6-9-19(10-7-13)12-14-4-1-2-8-17-14/h1-5,8,11,13H,6-7,9-10,12H2,(H,18,20)
InChIKeyZTSIEAZKNSDVOF-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 51090453
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29153043
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 47073484
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901581
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
CID 75461600
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 51087555) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1cccs1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ZTSIEAZKNSDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(15-5-3-11-21-15)18-13-6-9-19(10-7-13)12-14-4-1-2-8-17-14/h1-5,8,11,13H,6-7,9-10,12H2,(H,18,20).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51087555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).