N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide

C24H28N4O2 — CID 175281300

IUPACN-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
SMILESCCc1cc(CC)c(N(N)C=O)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-18-13-19(4-2)23(28(26)16-29)14-22(18)24(30)27-11-9-21(10-12-27)20-7-5-17(15-25)6-8-20/h5-8,13-14,16,21H,3-4,9-12,26H2,1-2H3
InChIKeyJKHLCFVEPZVQFC-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.54
Rot. Bonds6

About N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide

N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide (PubChem CID 175281300) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide.

Molecular Properties

Compound NameN-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
PubChem CID175281300
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
SMILESCCc1cc(CC)c(N(N)C=O)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-18-13-19(4-2)23(28(26)16-29)14-22(18)24(30)27-11-9-21(10-12-27)20-7-5-17(15-25)6-8-20/h5-8,13-14,16,21H,3-4,9-12,26H2,1-2H3
InChIKeyJKHLCFVEPZVQFC-UHFFFAOYSA-N
XLogP3.54
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide
CID 175281301
methyl 2,3-bis[4-(4-cyanophenyl)piperidine-1-carbonyl]-4,6-diethylbenzoate
CID 175395318
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-ethylbenzohydrazide;hydrazine;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-ethylbenzoate;hydrate
CID 161317526
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide
CID 159355808
4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
CID 174892501
3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide
CID 68952546
2-methylpropyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]carbamate
CID 24988178
2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
CID 24987425
3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pentan-3-ylurea
CID 69168670

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide?
The IUPAC name of N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide (CID 175281300) is N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide.
What is the SMILES notation for N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide?
The canonical SMILES for N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide is CCc1cc(CC)c(N(N)C=O)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide?
The InChIKey is JKHLCFVEPZVQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-18-13-19(4-2)23(28(26)16-29)14-22(18)24(30)27-11-9-21(10-12-27)20-7-5-17(15-25)6-8-20/h5-8,13-14,16,21H,3-4,9-12,26H2,1-2H3.
What are the key properties of N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide?
N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide has a molecular weight of 404.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide is sourced from PubChem (CID 175281300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).