N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide

C23H25N3OS — CID 134796027

IUPACN-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C23H25N3OS/c27-23(25-15-21-5-1-3-12-24-21)22-6-2-4-13-26(22)16-18-7-9-19(10-8-18)20-11-14-28-17-20/h1,3,5,7-12,14,17,22H,2,4,6,13,15-16H2,(H,25,27)
InChIKeyMBJNOMSIWHNQBM-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.48
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide

N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134796027) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134796027
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C23H25N3OS/c27-23(25-15-21-5-1-3-12-24-21)22-6-2-4-13-26(22)16-18-7-9-19(10-8-18)20-11-14-28-17-20/h1,3,5,7-12,14,17,22H,2,4,6,13,15-16H2,(H,25,27)
InChIKeyMBJNOMSIWHNQBM-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (CID 134796027) is N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCc1ccccn1)C1CCCCN1Cc1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is MBJNOMSIWHNQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(25-15-21-5-1-3-12-24-21)22-6-2-4-13-26(22)16-18-7-9-19(10-8-18)20-11-14-28-17-20/h1,3,5,7-12,14,17,22H,2,4,6,13,15-16H2,(H,25,27).
What are the key properties of N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
N-(pyridin-2-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.48, 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-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134796027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).