4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide

C17H21N3OS — CID 86263542

IUPAC4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C17H21N3OS/c1-13-10-16(22-12-13)17(21)19-11-14-4-8-20(9-5-14)15-2-6-18-7-3-15/h2-3,6-7,10,12,14H,4-5,8-9,11H2,1H3,(H,19,21)
InChIKeyJFOALQUBNIQOMG-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.10
Rot. Bonds4

About 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide

4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 86263542) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID86263542
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C17H21N3OS/c1-13-10-16(22-12-13)17(21)19-11-14-4-8-20(9-5-14)15-2-6-18-7-3-15/h2-3,6-7,10,12,14H,4-5,8-9,11H2,1H3,(H,19,21)
InChIKeyJFOALQUBNIQOMG-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide (CID 86263542) is 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is JFOALQUBNIQOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-10-16(22-12-13)17(21)19-11-14-4-8-20(9-5-14)15-2-6-18-7-3-15/h2-3,6-7,10,12,14H,4-5,8-9,11H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86263542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).