1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide

C25H28N6O3 — CID 55979110

IUPAC1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C25H28N6O3/c32-23(18-31-13-5-12-27-31)28-22-9-4-6-19(16-22)17-26-24(33)20-10-14-30(15-11-20)25(34)29-21-7-2-1-3-8-21/h1-9,12-13,16,20H,10-11,14-15,17-18H2,(H,26,33)(H,28,32)(H,29,34)
InChIKeyBFMJZZGQNNXIEE-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.08
Rot. Bonds7

About 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide (PubChem CID 55979110) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
PubChem CID55979110
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C25H28N6O3/c32-23(18-31-13-5-12-27-31)28-22-9-4-6-19(16-22)17-26-24(33)20-10-14-30(15-11-20)25(34)29-21-7-2-1-3-8-21/h1-9,12-13,16,20H,10-11,14-15,17-18H2,(H,26,33)(H,28,32)(H,29,34)
InChIKeyBFMJZZGQNNXIEE-UHFFFAOYSA-N
XLogP3.08
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55954809
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55978346
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
1-(2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 55954540
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
N-[2-[[N-ethyl-N'-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927706

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide (CID 55979110) is 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide is O=C(Cn1cccn1)Nc1cccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide?
The InChIKey is BFMJZZGQNNXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c32-23(18-31-13-5-12-27-31)28-22-9-4-6-19(16-22)17-26-24(33)20-10-14-30(15-11-20)25(34)29-21-7-2-1-3-8-21/h1-9,12-13,16,20H,10-11,14-15,17-18H2,(H,26,33)(H,28,32)(H,29,34).
What are the key properties of 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55979110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).