1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C23H28N6O2 — CID 24791478

IUPAC1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCOCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1
InChIInChI=1S/C23H28N6O2/c1-31-14-9-22-24-15-18(16-25-22)17-28-12-7-19(8-13-28)23(30)27-20-3-5-21(6-4-20)29-11-2-10-26-29/h2-6,10-11,15-16,19H,7-9,12-14,17H2,1H3,(H,27,30)
InChIKeyQTYIJKFBGNNQCC-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.70
Rot. Bonds8

About 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 24791478) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID24791478
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCOCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1
InChIInChI=1S/C23H28N6O2/c1-31-14-9-22-24-15-18(16-25-22)17-28-12-7-19(8-13-28)23(30)27-20-3-5-21(6-4-20)29-11-2-10-26-29/h2-6,10-11,15-16,19H,7-9,12-14,17H2,1H3,(H,27,30)
InChIKeyQTYIJKFBGNNQCC-UHFFFAOYSA-N
XLogP2.70
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 24791478) is 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is COCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1.
What is the InChIKey of 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is QTYIJKFBGNNQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-31-14-9-22-24-15-18(16-25-22)17-28-12-7-19(8-13-28)23(30)27-20-3-5-21(6-4-20)29-11-2-10-26-29/h2-6,10-11,15-16,19H,7-9,12-14,17H2,1H3,(H,27,30).
What are the key properties of 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).