N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide

C26H29FN4O2 — CID 18507162

IUPACN,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(c3ncc(F)cn3)C2)cc1
InChIInChI=1S/C26H29FN4O2/c1-3-30(4-2)24(33)19-9-11-20(12-10-19)26(21-7-5-8-23(32)15-21)13-6-14-31(18-26)25-28-16-22(27)17-29-25/h5,7-12,15-17,32H,3-4,6,13-14,18H2,1-2H3
InChIKeyQVAQWJBLSYYBAV-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.39
Rot. Bonds6

About N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide

N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide (PubChem CID 18507162) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide
PubChem CID18507162
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(c3ncc(F)cn3)C2)cc1
InChIInChI=1S/C26H29FN4O2/c1-3-30(4-2)24(33)19-9-11-20(12-10-19)26(21-7-5-8-23(32)15-21)13-6-14-31(18-26)25-28-16-22(27)17-29-25/h5,7-12,15-17,32H,3-4,6,13-14,18H2,1-2H3
InChIKeyQVAQWJBLSYYBAV-UHFFFAOYSA-N
XLogP4.39
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.39
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-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide (CID 18507162) is N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide is CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(c3ncc(F)cn3)C2)cc1.
What is the InChIKey of N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide?
The InChIKey is QVAQWJBLSYYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-3-30(4-2)24(33)19-9-11-20(12-10-19)26(21-7-5-8-23(32)15-21)13-6-14-31(18-26)25-28-16-22(27)17-29-25/h5,7-12,15-17,32H,3-4,6,13-14,18H2,1-2H3.
What are the key properties of N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide?
N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide has a molecular weight of 448.54 g/mol, XLogP of 4.39, 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-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 18507162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).