2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one

C29H36N4O3 — CID 71708477

IUPAC2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H36N4O3/c1-30-25(21-32-16-18-36-19-17-32)20-27(34)29(35)26(30)22-31-12-14-33(15-13-31)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,20,28,35H,12-19,21-22H2,1H3
InChIKeyZSFUTDJEGCLUIU-UHFFFAOYSA-N
MW488.63 g/mol
LogP2.83
Rot. Bonds7

About 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one

2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 71708477) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID71708477
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H36N4O3/c1-30-25(21-32-16-18-36-19-17-32)20-27(34)29(35)26(30)22-31-12-14-33(15-13-31)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,20,28,35H,12-19,21-22H2,1H3
InChIKeyZSFUTDJEGCLUIU-UHFFFAOYSA-N
XLogP2.83
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one with MolForge

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Related Compounds

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
CID 71700816
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 71701467
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881388
6-(chloromethyl)-2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-3-hydroxypyran-4-one
CID 46933339
(1S,9R)-11-[[5-hydroxy-1-methyl-4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 71754506
(1S,9S)-11-[[5-hydroxy-1-methyl-6-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-4-oxo-2-pyridinyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162987616
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217135
methyl (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-phenylpropanoate
CID 99996401
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-3-hydroxy-1-methyl-6-(piperidin-1-ylmethyl)pyridin-4-one
CID 96557474
1-benzhydryl-4-butylpiperazine
CID 13416419
(9R)-11-[[5-hydroxy-1-methyl-4-oxo-6-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 131665288

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one (CID 71708477) is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one is Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is ZSFUTDJEGCLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-30-25(21-32-16-18-36-19-17-32)20-27(34)29(35)26(30)22-31-12-14-33(15-13-31)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,20,28,35H,12-19,21-22H2,1H3.
What are the key properties of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one?
2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 488.63 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 71708477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).