1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one

C23H26N2O5 — CID 70107033

IUPAC1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4c(C)cccc43)CC2)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-15-5-4-6-20-19(15)14-30-23(27)25(20)16-9-11-24(12-10-16)22(26)18-8-7-17(28-2)13-21(18)29-3/h4-8,13,16H,9-12,14H2,1-3H3
InChIKeyDDKQMIXBXRMOJI-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.77
Rot. Bonds4

About 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one

1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one (PubChem CID 70107033) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one
PubChem CID70107033
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4c(C)cccc43)CC2)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-15-5-4-6-20-19(15)14-30-23(27)25(20)16-9-11-24(12-10-16)22(26)18-8-7-17(28-2)13-21(18)29-3/h4-8,13,16H,9-12,14H2,1-3H3
InChIKeyDDKQMIXBXRMOJI-UHFFFAOYSA-N
XLogP3.77
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-hydroxy-2-methoxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70065555
1-[1-[2-methoxy-4-[1-(pyridin-2-ylamino)propan-2-yloxy]benzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 19690949
1-[1-[4-[1-[3-(diethylamino)propanoyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70107219
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
1-[1-[4-[1-[(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 10555563
1-[1-[2-methoxy-4-[1-[(4-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 10841081
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
1-[1-[4-[1-[(2,6-diethyl-4-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70063750
6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 70046587
1-[1-[4-[1-[(2,6-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 10722297
1-[1-[2-methoxy-4-[1-[(2-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one;hydrochloride
CID 157010696
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one (CID 70107033) is 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one is COc1ccc(C(=O)N2CCC(N3C(=O)OCc4c(C)cccc43)CC2)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one?
The InChIKey is DDKQMIXBXRMOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15-5-4-6-20-19(15)14-30-23(27)25(20)16-9-11-24(12-10-16)22(26)18-8-7-17(28-2)13-21(18)29-3/h4-8,13,16H,9-12,14H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one?
1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one has a molecular weight of 410.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 70107033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).