2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide

C23H25N3OS — CID 134799649

IUPAC2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccn1)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C23H25N3OS/c27-23(16-21-7-1-2-11-24-21)25-20-9-12-26(13-10-20)17-18-5-3-6-19(15-18)22-8-4-14-28-22/h1-8,11,14-15,20H,9-10,12-13,16-17H2,(H,25,27)
InChIKeyRUDKRWCFSIXEPW-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.13
Rot. Bonds6

About 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide

2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 134799649) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID134799649
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccn1)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C23H25N3OS/c27-23(16-21-7-1-2-11-24-21)25-20-9-12-26(13-10-20)17-18-5-3-6-19(15-18)22-8-4-14-28-22/h1-8,11,14-15,20H,9-10,12-13,16-17H2,(H,25,27)
InChIKeyRUDKRWCFSIXEPW-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10839051
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CID 54764920
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CID 71459157
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CID 71462683
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CID 71714533
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CID 24819750
CID 24819750

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide (CID 134799649) is 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide is O=C(Cc1ccccn1)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1.
What is the InChIKey of 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is RUDKRWCFSIXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(16-21-7-1-2-11-24-21)25-20-9-12-26(13-10-20)17-18-5-3-6-19(15-18)22-8-4-14-28-22/h1-8,11,14-15,20H,9-10,12-13,16-17H2,(H,25,27).
What are the key properties of 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 391.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134799649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).