1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

C23H27N5OS — CID 24817517

IUPAC1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1
InChIInChI=1S/C23H27N5OS/c1-2-4-22-24-12-17(13-25-22)14-28-9-7-18(8-10-28)23(29)27-20-6-3-5-19(11-20)21-15-30-16-26-21/h3,5-6,11-13,15-16,18H,2,4,7-10,14H2,1H3,(H,27,29)
InChIKeyPQTKEQUWUFYYIN-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.40
Rot. Bonds7

About 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24817517) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID24817517
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1
InChIInChI=1S/C23H27N5OS/c1-2-4-22-24-12-17(13-25-22)14-28-9-7-18(8-10-28)23(29)27-20-6-3-5-19(11-20)21-15-30-16-26-21/h3,5-6,11-13,15-16,18H,2,4,7-10,14H2,1H3,(H,27,29)
InChIKeyPQTKEQUWUFYYIN-UHFFFAOYSA-N
XLogP4.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 24817517) is 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is CCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1.
What is the InChIKey of 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is PQTKEQUWUFYYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-2-4-22-24-12-17(13-25-22)14-28-9-7-18(8-10-28)23(29)27-20-6-3-5-19(11-20)21-15-30-16-26-21/h3,5-6,11-13,15-16,18H,2,4,7-10,14H2,1H3,(H,27,29).
What are the key properties of 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24817517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).