2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one

C24H25N3O3 — CID 125430948

IUPAC2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1=O
InChIInChI=1S/C24H25N3O3/c1-30-22-17-25-20(16-21(22)28)24(29)27-14-12-26(13-15-27)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,23H,12-15H2,1H3,(H,25,28)
InChIKeyOMIDCDJJHPPUAV-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one

2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one (PubChem CID 125430948) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
PubChem CID125430948
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1=O
InChIInChI=1S/C24H25N3O3/c1-30-22-17-25-20(16-21(22)28)24(29)27-14-12-26(13-15-27)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,23H,12-15H2,1H3,(H,25,28)
InChIKeyOMIDCDJJHPPUAV-UHFFFAOYSA-N
XLogP2.93
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
5-methoxy-2-(2-phenylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 128963323
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 92771946
3-(4-benzhydrylpiperazine-1-carbonyl)-8-methoxychromen-2-one
CID 1167270
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
5-methoxy-2-[2-(2-phenylethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56873403
2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95728663
(4-benzhydrylpiperazin-1-yl)-[2-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
CID 10282312
(4-benzhydrylpiperazin-1-yl)-[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759077

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one (CID 125430948) is 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1=O.
What is the InChIKey of 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
The InChIKey is OMIDCDJJHPPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-22-17-25-20(16-21(22)28)24(29)27-14-12-26(13-15-27)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,23H,12-15H2,1H3,(H,25,28).
What are the key properties of 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one has a molecular weight of 403.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 125430948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).