1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one

C17H23N3O3 — CID 134794616

IUPAC1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESCOc1cccc(C(=O)N2CCC(N3CCCNC3=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-2-4-13(12-15)16(21)19-10-6-14(7-11-19)20-9-3-8-18-17(20)22/h2,4-5,12,14H,3,6-11H2,1H3,(H,18,22)
InChIKeyRJMSUOYIJXJJCO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.72
Rot. Bonds3

About 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one

1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 134794616) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID134794616
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESCOc1cccc(C(=O)N2CCC(N3CCCNC3=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-2-4-13(12-15)16(21)19-10-6-14(7-11-19)20-9-3-8-18-17(20)22/h2,4-5,12,14H,3,6-11H2,1H3,(H,18,22)
InChIKeyRJMSUOYIJXJJCO-UHFFFAOYSA-N
XLogP1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
1-[1-[3-(3-methoxyphenyl)but-2-enoyl]piperidin-4-yl]pyrrolidin-2-one
CID 71975359

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one (CID 134794616) is 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one is COc1cccc(C(=O)N2CCC(N3CCCNC3=O)CC2)c1.
What is the InChIKey of 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is RJMSUOYIJXJJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-5-2-4-13(12-15)16(21)19-10-6-14(7-11-19)20-9-3-8-18-17(20)22/h2,4-5,12,14H,3,6-11H2,1H3,(H,18,22).
What are the key properties of 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 134794616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).