6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C23H25N3OS — CID 1448003

IUPAC6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C23H25N3OS/c27-23(25-17-21-7-4-14-28-21)20-8-9-22(24-16-20)26-12-10-19(11-13-26)15-18-5-2-1-3-6-18/h1-9,14,16,19H,10-13,15,17H2,(H,25,27)
InChIKeyJJAHZPCODPHDBX-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.53
Rot. Bonds6

About 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1448003) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1448003
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C23H25N3OS/c27-23(25-17-21-7-4-14-28-21)20-8-9-22(24-16-20)26-12-10-19(11-13-26)15-18-5-2-1-3-6-18/h1-9,14,16,19H,10-13,15,17H2,(H,25,27)
InChIKeyJJAHZPCODPHDBX-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171652
6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 95105130
2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247732
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55749828
4-(4-benzylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)phthalazine-1-carboxamide
CID 42878260
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 1448003) is 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JJAHZPCODPHDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(25-17-21-7-4-14-28-21)20-8-9-22(24-16-20)26-12-10-19(11-13-26)15-18-5-2-1-3-6-18/h1-9,14,16,19H,10-13,15,17H2,(H,25,27).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1448003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).