[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C21H26N4O3 — CID 56752076

IUPAC[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCOCC2)nc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C21H26N4O3/c26-21(17-4-5-20(23-15-17)24-9-2-13-27-14-12-24)25-10-6-18(7-11-25)28-19-3-1-8-22-16-19/h1,3-5,8,15-16,18H,2,6-7,9-14H2
InChIKeyKHWBSILVEMVUJU-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.39
Rot. Bonds4

About [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 56752076) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID56752076
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCOCC2)nc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C21H26N4O3/c26-21(17-4-5-20(23-15-17)24-9-2-13-27-14-12-24)25-10-6-18(7-11-25)28-19-3-1-8-22-16-19/h1,3-5,8,15-16,18H,2,6-7,9-14H2
InChIKeyKHWBSILVEMVUJU-UHFFFAOYSA-N
XLogP2.39
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 56752076) is [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is O=C(c1ccc(N2CCCOCC2)nc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is KHWBSILVEMVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-21(17-4-5-20(23-15-17)24-9-2-13-27-14-12-24)25-10-6-18(7-11-25)28-19-3-1-8-22-16-19/h1,3-5,8,15-16,18H,2,6-7,9-14H2.
What are the key properties of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 382.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 56752076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).