N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide

C27H31FN4O — CID 42643943

IUPACN,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1
InChIInChI=1S/C27H31FN4O/c1-3-30(4-2)27(33)26(21-9-6-5-7-10-21)32-17-15-31(16-18-32)25-13-12-22(19-24(25)28)23-11-8-14-29-20-23/h5-14,19-20,26H,3-4,15-18H2,1-2H3
InChIKeyQDTNQMONVVMUTB-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.62
Rot. Bonds7

About N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 42643943) has the molecular formula C27H31FN4O and a molecular weight of 446.57 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID42643943
Molecular FormulaC27H31FN4O
Molecular Weight446.57 g/mol
Exact Mass446.25
IUPAC NameN,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1
InChIInChI=1S/C27H31FN4O/c1-3-30(4-2)27(33)26(21-9-6-5-7-10-21)32-17-15-31(16-18-32)25-13-12-22(19-24(25)28)23-11-8-14-29-20-23/h5-14,19-20,26H,3-4,15-18H2,1-2H3
InChIKeyQDTNQMONVVMUTB-UHFFFAOYSA-N
XLogP4.62
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055774
(Z)-but-2-enedioic acid;N,N-diethyl-2-[4-[2-fluoro-4-[2-oxo-2-(2-pyridin-3-ylphenyl)ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide
CID 123379903
N,N-diethyl-2-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055777
N,N-diethyl-2-[4-[4-(5-ethyl-1,3-oxazol-2-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055783
N,N-diethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 58157308
N,N-diethyl-2-[4-(2-fluoro-4-formylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 86612370
methyl 2-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 58055766
2-[4-[4-[(1Z)-1-aminobuta-1,3-dienyl]-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 89175328
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 58870720
(3S)-N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
CID 58870766
N-[4-[4-[(1R)-2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25152075
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-ethyl-3,4-dihydropyrazole-3-carboxamide
CID 70143517

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide (CID 42643943) is N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is QDTNQMONVVMUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O/c1-3-30(4-2)27(33)26(21-9-6-5-7-10-21)32-17-15-31(16-18-32)25-13-12-22(19-24(25)28)23-11-8-14-29-20-23/h5-14,19-20,26H,3-4,15-18H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 446.57 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 42643943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).