4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C22H29FN4O — CID 113107679

IUPAC4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H29FN4O/c1-3-25(4-2)20-9-11-21(12-10-20)26-13-15-27(16-14-26)22(28)24-17-18-5-7-19(23)8-6-18/h5-12H,3-4,13-17H2,1-2H3,(H,24,28)
InChIKeyLJQSHDRQJHSACT-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.70
Rot. Bonds6

About 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113107679) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113107679
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H29FN4O/c1-3-25(4-2)20-9-11-21(12-10-20)26-13-15-27(16-14-26)22(28)24-17-18-5-7-19(23)8-6-18/h5-12H,3-4,13-17H2,1-2H3,(H,24,28)
InChIKeyLJQSHDRQJHSACT-UHFFFAOYSA-N
XLogP3.70
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108225
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
CID 48957963
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 100599953
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113107679) is 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LJQSHDRQJHSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-3-25(4-2)20-9-11-21(12-10-20)26-13-15-27(16-14-26)22(28)24-17-18-5-7-19(23)8-6-18/h5-12H,3-4,13-17H2,1-2H3,(H,24,28).
What are the key properties of 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).