1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C23H26N4O2 — CID 24819389

IUPAC1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-22-10-8-18(9-11-22)16-26-13-3-5-19(17-26)23(28)25-20-6-2-7-21(15-20)27-14-4-12-24-27/h2,4,6-12,14-15,19H,3,5,13,16-17H2,1H3,(H,25,28)
InChIKeyAKGSFGDXCAFDRC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.73
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24819389) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24819389
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-22-10-8-18(9-11-22)16-26-13-3-5-19(17-26)23(28)25-20-6-2-7-21(15-20)27-14-4-12-24-27/h2,4,6-12,14-15,19H,3,5,13,16-17H2,1H3,(H,25,28)
InChIKeyAKGSFGDXCAFDRC-UHFFFAOYSA-N
XLogP3.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24793047
1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45226311
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
ethyl 4-[3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45230119
ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26324219

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24819389) is 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is COc1ccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is AKGSFGDXCAFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-10-8-18(9-11-22)16-26-13-3-5-19(17-26)23(28)25-20-6-2-7-21(15-20)27-14-4-12-24-27/h2,4,6-12,14-15,19H,3,5,13,16-17H2,1H3,(H,25,28).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24819389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).