1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide

C22H23N5O2 — CID 55963089

IUPAC1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(24-19-8-4-9-20(16-19)27-13-5-12-23-27)17-10-14-26(15-11-17)22(29)25-18-6-2-1-3-7-18/h1-9,12-13,16-17H,10-11,14-15H2,(H,24,28)(H,25,29)
InChIKeyIDQXOYBIEUIKFT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.75
Rot. Bonds4

About 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 55963089) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
PubChem CID55963089
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(24-19-8-4-9-20(16-19)27-13-5-12-23-27)17-10-14-26(15-11-17)22(29)25-18-6-2-1-3-7-18/h1-9,12-13,16-17H,10-11,14-15H2,(H,24,28)(H,25,29)
InChIKeyIDQXOYBIEUIKFT-UHFFFAOYSA-N
XLogP3.75
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 55765789
(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 92627923
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
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
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide (CID 55963089) is 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is IDQXOYBIEUIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(24-19-8-4-9-20(16-19)27-13-5-12-23-27)17-10-14-26(15-11-17)22(29)25-18-6-2-1-3-7-18/h1-9,12-13,16-17H,10-11,14-15H2,(H,24,28)(H,25,29).
What are the key properties of 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55963089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).