1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

C21H22N4OS — CID 24791083

IUPAC1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(24-18-6-3-4-17(12-18)20-14-27-15-23-20)16-7-10-25(11-8-16)13-19-5-1-2-9-22-19/h1-6,9,12,14-16H,7-8,10-11,13H2,(H,24,26)
InChIKeyBFZIAJKJYQOZLB-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.06
Rot. Bonds5

About 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24791083) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID24791083
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(24-18-6-3-4-17(12-18)20-14-27-15-23-20)16-7-10-25(11-8-16)13-19-5-1-2-9-22-19/h1-6,9,12,14-16H,7-8,10-11,13H2,(H,24,26)
InChIKeyBFZIAJKJYQOZLB-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 24791083) is 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is BFZIAJKJYQOZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(24-18-6-3-4-17(12-18)20-14-27-15-23-20)16-7-10-25(11-8-16)13-19-5-1-2-9-22-19/h1-6,9,12,14-16H,7-8,10-11,13H2,(H,24,26).
What are the key properties of 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).