[6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C22H26N4O4 — CID 92623319

IUPAC[6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)cn1
InChIInChI=1S/C22H26N4O4/c1-29-20-5-3-18(15-24-20)21(27)25-8-6-16(7-9-25)19-4-2-17(14-23-19)22(28)26-10-12-30-13-11-26/h2-5,14-16H,6-13H2,1H3
InChIKeyBJQRGRAHSRWEMC-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.98
Rot. Bonds4

About [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 92623319) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID92623319
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name[6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)cn1
InChIInChI=1S/C22H26N4O4/c1-29-20-5-3-18(15-24-20)21(27)25-8-6-16(7-9-25)19-4-2-17(14-23-19)22(28)26-10-12-30-13-11-26/h2-5,14-16H,6-13H2,1H3
InChIKeyBJQRGRAHSRWEMC-UHFFFAOYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 92623319) is [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)cn1.
What is the InChIKey of [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is BJQRGRAHSRWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-20-5-3-18(15-24-20)21(27)25-8-6-16(7-9-25)19-4-2-17(14-23-19)22(28)26-10-12-30-13-11-26/h2-5,14-16H,6-13H2,1H3.
What are the key properties of [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 410.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92623319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).