4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C20H26N4O — CID 113108404

IUPAC4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-16(2)17-6-8-19(9-7-17)23-11-13-24(14-12-23)20(25)22-15-18-5-3-4-10-21-18/h3-10,16H,11-15H2,1-2H3,(H,22,25)
InChIKeyYTWZFQWRKXUUAF-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.24
Rot. Bonds4

About 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108404) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113108404
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-16(2)17-6-8-19(9-7-17)23-11-13-24(14-12-23)20(25)22-15-18-5-3-4-10-21-18/h3-10,16H,11-15H2,1-2H3,(H,22,25)
InChIKeyYTWZFQWRKXUUAF-UHFFFAOYSA-N
XLogP3.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113108404) is 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is CC(C)c1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YTWZFQWRKXUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(2)17-6-8-19(9-7-17)23-11-13-24(14-12-23)20(25)22-15-18-5-3-4-10-21-18/h3-10,16H,11-15H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).