5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C18H21N3O2S — CID 51081411

IUPAC5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)s1
InChIInChI=1S/C18H21N3O2S/c1-13(22)15-6-7-16(24-15)18(23)20-12-14-5-8-17(19-11-14)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)
InChIKeyUUIIDCXBHBIQCH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.27
Rot. Bonds5

About 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 51081411) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID51081411
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)s1
InChIInChI=1S/C18H21N3O2S/c1-13(22)15-6-7-16(24-15)18(23)20-12-14-5-8-17(19-11-14)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)
InChIKeyUUIIDCXBHBIQCH-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 47043391
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 46580563
N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51116637
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 8546646
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 51081411) is 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)s1.
What is the InChIKey of 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is UUIIDCXBHBIQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(22)15-6-7-16(24-15)18(23)20-12-14-5-8-17(19-11-14)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23).
What are the key properties of 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 51081411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).