N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide

C28H33FN4O2 — CID 169272439

IUPACN,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(C(C)c3ccc(-c4cncc(O)c4)cc3F)CC2)cc1
InChIInChI=1S/C28H33FN4O2/c1-4-31(5-2)28(35)21-6-9-24(10-7-21)33-14-12-32(13-15-33)20(3)26-11-8-22(17-27(26)29)23-16-25(34)19-30-18-23/h6-11,16-20,34H,4-5,12-15H2,1-3H3
InChIKeyRWQIQPKDESLMOY-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.96
Rot. Bonds7

About N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide

N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide (PubChem CID 169272439) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide
PubChem CID169272439
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC NameN,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(C(C)c3ccc(-c4cncc(O)c4)cc3F)CC2)cc1
InChIInChI=1S/C28H33FN4O2/c1-4-31(5-2)28(35)21-6-9-24(10-7-21)33-14-12-32(13-15-33)20(3)26-11-8-22(17-27(26)29)23-16-25(34)19-30-18-23/h6-11,16-20,34H,4-5,12-15H2,1-3H3
InChIKeyRWQIQPKDESLMOY-UHFFFAOYSA-N
XLogP4.96
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide (CID 169272439) is N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide is CCN(CC)C(=O)c1ccc(N2CCN(C(C)c3ccc(-c4cncc(O)c4)cc3F)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide?
The InChIKey is RWQIQPKDESLMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-4-31(5-2)28(35)21-6-9-24(10-7-21)33-14-12-32(13-15-33)20(3)26-11-8-22(17-27(26)29)23-16-25(34)19-30-18-23/h6-11,16-20,34H,4-5,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide?
N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide has a molecular weight of 476.60 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[1-[2-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 169272439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).