N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide

C23H25N3OS — CID 134801029

IUPACN-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(Cc2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C23H25N3OS/c27-23(25-14-22-8-1-2-10-24-22)20-7-4-11-26(16-20)15-18-5-3-6-19(13-18)21-9-12-28-17-21/h1-3,5-6,8-10,12-13,17,20H,4,7,11,14-16H2,(H,25,27)
InChIKeyDJVHNCSUBCOUQP-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.34
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide

N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 134801029) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID134801029
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(Cc2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C23H25N3OS/c27-23(25-14-22-8-1-2-10-24-22)20-7-4-11-26(16-20)15-18-5-3-6-19(13-18)21-9-12-28-17-21/h1-3,5-6,8-10,12-13,17,20H,4,7,11,14-16H2,(H,25,27)
InChIKeyDJVHNCSUBCOUQP-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 134801029) is N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(Cc2cccc(-c3ccsc3)c2)C1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DJVHNCSUBCOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(25-14-22-8-1-2-10-24-22)20-7-4-11-26(16-20)15-18-5-3-6-19(13-18)21-9-12-28-17-21/h1-3,5-6,8-10,12-13,17,20H,4,7,11,14-16H2,(H,25,27).
What are the key properties of N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134801029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).