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

C27H29FN4O3 — CID 169271152

IUPACN,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c(F)c3)CC2)cc1
InChIInChI=1S/C27H29FN4O3/c1-3-30(4-2)26(34)19-5-8-22(9-6-19)31-11-13-32(14-12-31)27(35)20-7-10-24(25(28)16-20)21-15-23(33)18-29-17-21/h5-10,15-18,33H,3-4,11-14H2,1-2H3
InChIKeyCWNBOOOWTHADNC-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.04
Rot. Bonds6

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

N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide (PubChem CID 169271152) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide
PubChem CID169271152
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC NameN,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c(F)c3)CC2)cc1
InChIInChI=1S/C27H29FN4O3/c1-3-30(4-2)26(34)19-5-8-22(9-6-19)31-11-13-32(14-12-31)27(35)20-7-10-24(25(28)16-20)21-15-23(33)18-29-17-21/h5-10,15-18,33H,3-4,11-14H2,1-2H3
InChIKeyCWNBOOOWTHADNC-UHFFFAOYSA-N
XLogP4.04
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.04
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-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide (CID 169271152) is N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide is CCN(CC)C(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c(F)c3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide?
The InChIKey is CWNBOOOWTHADNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-3-30(4-2)26(34)19-5-8-22(9-6-19)31-11-13-32(14-12-31)27(35)20-7-10-24(25(28)16-20)21-15-23(33)18-29-17-21/h5-10,15-18,33H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide?
N,N-diethyl-4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.04, 6 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-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 169271152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).