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

C16H20N4OS — CID 71786550

IUPAC4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C16H20N4OS/c1-12-8-14(22-11-12)16(21)19-9-13-2-6-20(7-3-13)15-10-17-4-5-18-15/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,19,21)
InChIKeyIVOZFTBVCJZYOO-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.49
Rot. Bonds4

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

4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 71786550) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID71786550
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C16H20N4OS/c1-12-8-14(22-11-12)16(21)19-9-13-2-6-20(7-3-13)15-10-17-4-5-18-15/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,19,21)
InChIKeyIVOZFTBVCJZYOO-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 71786573
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121109190
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
N'-(2-methoxy-5-methylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107842
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 121109069
5-(furan-2-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786575
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide (CID 71786550) is 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCC2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is IVOZFTBVCJZYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-8-14(22-11-12)16(21)19-9-13-2-6-20(7-3-13)15-10-17-4-5-18-15/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71786550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).