N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide

C19H25N3OS — CID 56791673

IUPACN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide
SMILESCc1cccc(N2CCC(NC(=O)CCCc3cccs3)CC2)n1
InChIInChI=1S/C19H25N3OS/c1-15-5-2-8-18(20-15)22-12-10-16(11-13-22)21-19(23)9-3-6-17-7-4-14-24-17/h2,4-5,7-8,14,16H,3,6,9-13H2,1H3,(H,21,23)
InChIKeyRKPQXWDFAGNBRZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide

N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide (PubChem CID 56791673) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide
PubChem CID56791673
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide
SMILESCc1cccc(N2CCC(NC(=O)CCCc3cccs3)CC2)n1
InChIInChI=1S/C19H25N3OS/c1-15-5-2-8-18(20-15)22-12-10-16(11-13-22)21-19(23)9-3-6-17-7-4-14-24-17/h2,4-5,7-8,14,16H,3,6,9-13H2,1H3,(H,21,23)
InChIKeyRKPQXWDFAGNBRZ-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide (CID 56791673) is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide is Cc1cccc(N2CCC(NC(=O)CCCc3cccs3)CC2)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is RKPQXWDFAGNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-5-2-8-18(20-15)22-12-10-16(11-13-22)21-19(23)9-3-6-17-7-4-14-24-17/h2,4-5,7-8,14,16H,3,6,9-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide?
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 343.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 56791673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).