N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide

C19H25N3OS — CID 171335899

IUPACN-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
SMILESCN(CC1CCN(c2nccc3sccc23)CC1)C(=O)C1CCC1
InChIInChI=1S/C19H25N3OS/c1-21(19(23)15-3-2-4-15)13-14-6-10-22(11-7-14)18-16-8-12-24-17(16)5-9-20-18/h5,8-9,12,14-15H,2-4,6-7,10-11,13H2,1H3
InChIKeyFORBFJUOFIZGCZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.77
Rot. Bonds4

About N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide

N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 171335899) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
PubChem CID171335899
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
SMILESCN(CC1CCN(c2nccc3sccc23)CC1)C(=O)C1CCC1
InChIInChI=1S/C19H25N3OS/c1-21(19(23)15-3-2-4-15)13-14-6-10-22(11-7-14)18-16-8-12-24-17(16)5-9-20-18/h5,8-9,12,14-15H,2-4,6-7,10-11,13H2,1H3
InChIKeyFORBFJUOFIZGCZ-UHFFFAOYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide (CID 171335899) is N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide is CN(CC1CCN(c2nccc3sccc23)CC1)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is FORBFJUOFIZGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-21(19(23)15-3-2-4-15)13-14-6-10-22(11-7-14)18-16-8-12-24-17(16)5-9-20-18/h5,8-9,12,14-15H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide?
N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 343.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 171335899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).