1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one

C26H31N3O5 — CID 10837896

IUPAC1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESCOc1cc(OC2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1
InChIInChI=1S/C26H31N3O5/c1-32-24-16-21(34-20-8-12-27-13-9-20)6-7-22(24)25(30)28-14-10-19(11-15-28)29-23-5-3-2-4-18(23)17-33-26(29)31/h2-7,16,19-20,27H,8-15,17H2,1H3
InChIKeyFSDMSJGUBSBDQM-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.59
Rot. Bonds5

About 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one

1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one (PubChem CID 10837896) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
PubChem CID10837896
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESCOc1cc(OC2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1
InChIInChI=1S/C26H31N3O5/c1-32-24-16-21(34-20-8-12-27-13-9-20)6-7-22(24)25(30)28-14-10-19(11-15-28)29-23-5-3-2-4-18(23)17-33-26(29)31/h2-7,16,19-20,27H,8-15,17H2,1H3
InChIKeyFSDMSJGUBSBDQM-UHFFFAOYSA-N
XLogP3.59
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one (CID 10837896) is 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one is COc1cc(OC2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The InChIKey is FSDMSJGUBSBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-32-24-16-21(34-20-8-12-27-13-9-20)6-7-22(24)25(30)28-14-10-19(11-15-28)29-23-5-3-2-4-18(23)17-33-26(29)31/h2-7,16,19-20,27H,8-15,17H2,1H3.
What are the key properties of 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one has a molecular weight of 465.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-4-piperidin-4-yloxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 10837896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).