1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C20H26N4OS — CID 46907679

IUPAC1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cccc(N4CCCCC4)c3)s2)CC1
InChIInChI=1S/C20H26N4OS/c21-19(25)15-7-11-24(12-8-15)20-22-14-18(26-20)16-5-4-6-17(13-16)23-9-2-1-3-10-23/h4-6,13-15H,1-3,7-12H2,(H2,21,25)
InChIKeyILZWRVXSUIGJNH-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.50
Rot. Bonds4

About 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907679) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907679
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cccc(N4CCCCC4)c3)s2)CC1
InChIInChI=1S/C20H26N4OS/c21-19(25)15-7-11-24(12-8-15)20-22-14-18(26-20)16-5-4-6-17(13-16)23-9-2-1-3-10-23/h4-6,13-15H,1-3,7-12H2,(H2,21,25)
InChIKeyILZWRVXSUIGJNH-UHFFFAOYSA-N
XLogP3.50
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907679) is 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3cccc(N4CCCCC4)c3)s2)CC1.
What is the InChIKey of 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ILZWRVXSUIGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c21-19(25)15-7-11-24(12-8-15)20-22-14-18(26-20)16-5-4-6-17(13-16)23-9-2-1-3-10-23/h4-6,13-15H,1-3,7-12H2,(H2,21,25).
What are the key properties of 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).