1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide

C20H28N4O2 — CID 136515951

IUPAC1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide
SMILESCOCCc1cc(NC(=O)C2CCCN(Cc3ccccc3)C2)n(C)n1
InChIInChI=1S/C20H28N4O2/c1-23-19(13-18(22-23)10-12-26-2)21-20(25)17-9-6-11-24(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14-15H2,1-2H3,(H,21,25)
InChIKeyFHPVUBMQXKFYNZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.46
Rot. Bonds7

About 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide

1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide (PubChem CID 136515951) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide
PubChem CID136515951
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide
SMILESCOCCc1cc(NC(=O)C2CCCN(Cc3ccccc3)C2)n(C)n1
InChIInChI=1S/C20H28N4O2/c1-23-19(13-18(22-23)10-12-26-2)21-20(25)17-9-6-11-24(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14-15H2,1-2H3,(H,21,25)
InChIKeyFHPVUBMQXKFYNZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide (CID 136515951) is 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide is COCCc1cc(NC(=O)C2CCCN(Cc3ccccc3)C2)n(C)n1.
What is the InChIKey of 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide?
The InChIKey is FHPVUBMQXKFYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-19(13-18(22-23)10-12-26-2)21-20(25)17-9-6-11-24(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14-15H2,1-2H3,(H,21,25).
What are the key properties of 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide?
1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 136515951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).