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

C21H22N4OS — CID 45240498

IUPAC1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C21H22N4OS/c26-21(24-19-7-5-17(6-8-19)20-14-27-15-23-20)18-4-2-10-25(13-18)12-16-3-1-9-22-11-16/h1,3,5-9,11,14-15,18H,2,4,10,12-13H2,(H,24,26)
InChIKeyVFVRGLYLWWBVCB-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.06
Rot. Bonds5

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

1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45240498) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID45240498
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C21H22N4OS/c26-21(24-19-7-5-17(6-8-19)20-14-27-15-23-20)18-4-2-10-25(13-18)12-16-3-1-9-22-11-16/h1,3,5-9,11,14-15,18H,2,4,10,12-13H2,(H,24,26)
InChIKeyVFVRGLYLWWBVCB-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-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 45240498) is 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cscn2)cc1)C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is VFVRGLYLWWBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(24-19-7-5-17(6-8-19)20-14-27-15-23-20)18-4-2-10-25(13-18)12-16-3-1-9-22-11-16/h1,3,5-9,11,14-15,18H,2,4,10,12-13H2,(H,24,26).
What are the key properties of 1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-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-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45240498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).