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

C27H31FN4O2 — CID 169272407

IUPACN,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(Cc3ccc(-c4cncc(O)c4)c(F)c3)CC2)cc1
InChIInChI=1S/C27H31FN4O2/c1-3-31(4-2)27(34)21-6-8-23(9-7-21)32-13-11-30(12-14-32)19-20-5-10-25(26(28)15-20)22-16-24(33)18-29-17-22/h5-10,15-18,33H,3-4,11-14,19H2,1-2H3
InChIKeyNWLZSQWQIKDAHV-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.40
Rot. Bonds7

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

N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide (PubChem CID 169272407) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
PubChem CID169272407
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC NameN,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(Cc3ccc(-c4cncc(O)c4)c(F)c3)CC2)cc1
InChIInChI=1S/C27H31FN4O2/c1-3-31(4-2)27(34)21-6-8-23(9-7-21)32-13-11-30(12-14-32)19-20-5-10-25(26(28)15-20)22-16-24(33)18-29-17-22/h5-10,15-18,33H,3-4,11-14,19H2,1-2H3
InChIKeyNWLZSQWQIKDAHV-UHFFFAOYSA-N
XLogP4.40
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(8-Hydroxyquinolin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 44143207
LON-WEI-babf2c61-4
CID 154856952
[1-(5-Hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 162653614
[3-Fluoro-4-[6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 136207345
2-[(2-{4-[(Dimethylamino)methyl]phenyl}-1-piperidinyl)carbonyl]-3-pyridinol
CID 70732860
[4-(2,2-Difluoroethyl)piperazin-1-yl]-(3-hydroxyquinolin-4-yl)methanone
CID 71920461
N-(2-hydroxy-4-methylphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 172435744
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 9825263
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10115200
N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide
CID 22504668
N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 5470925
[4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 76318447

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide (CID 169272407) is N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide is CCN(CC)C(=O)c1ccc(N2CCN(Cc3ccc(-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)phenyl]methyl]piperazin-1-yl]benzamide?
The InChIKey is NWLZSQWQIKDAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-3-31(4-2)27(34)21-6-8-23(9-7-21)32-13-11-30(12-14-32)19-20-5-10-25(26(28)15-20)22-16-24(33)18-29-17-22/h5-10,15-18,33H,3-4,11-14,19H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide?
N,N-diethyl-4-[4-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 4.40, 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-[[3-fluoro-4-(5-hydroxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 169272407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).