1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C24H28N4O2 — CID 24819456

IUPAC1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CN1CCCC(C(=O)Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C24H28N4O2/c1-2-30-23-12-4-3-8-19(23)17-27-14-6-9-20(18-27)24(29)26-21-10-5-11-22(16-21)28-15-7-13-25-28/h3-5,7-8,10-13,15-16,20H,2,6,9,14,17-18H2,1H3,(H,26,29)
InChIKeyXQXZJYVDGFJINN-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.12
Rot. Bonds7

About 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24819456) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24819456
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CN1CCCC(C(=O)Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C24H28N4O2/c1-2-30-23-12-4-3-8-19(23)17-27-14-6-9-20(18-27)24(29)26-21-10-5-11-22(16-21)28-15-7-13-25-28/h3-5,7-8,10-13,15-16,20H,2,6,9,14,17-18H2,1H3,(H,26,29)
InChIKeyXQXZJYVDGFJINN-UHFFFAOYSA-N
XLogP4.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2475487
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
Sdccgsbi-0117357.P001
CID 24790440
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791652
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide
CID 24792988
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24794292
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 24818848
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24819456) is 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is CCOc1ccccc1CN1CCCC(C(=O)Nc2cccc(-n3cccn3)c2)C1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is XQXZJYVDGFJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-30-23-12-4-3-8-19(23)17-27-14-6-9-20(18-27)24(29)26-21-10-5-11-22(16-21)28-15-7-13-25-28/h3-5,7-8,10-13,15-16,20H,2,6,9,14,17-18H2,1H3,(H,26,29).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).