2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one

C23H38N4O3 — CID 150203652

IUPAC2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CC=C(N2CCOCC2)CC1)N1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C23H38N4O3/c1-19(24-7-3-21(4-8-24)26-11-15-29-16-12-26)23(28)20(2)25-9-5-22(6-10-25)27-13-17-30-18-14-27/h3,5,19-20H,4,6-18H2,1-2H3
InChIKeyFQADYJKKDVUVDE-UHFFFAOYSA-N
MW418.58 g/mol
LogP1.18
Rot. Bonds6

About 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one

2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one (PubChem CID 150203652) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one
PubChem CID150203652
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC Name2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CC=C(N2CCOCC2)CC1)N1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C23H38N4O3/c1-19(24-7-3-21(4-8-24)26-11-15-29-16-12-26)23(28)20(2)25-9-5-22(6-10-25)27-13-17-30-18-14-27/h3,5,19-20H,4,6-18H2,1-2H3
InChIKeyFQADYJKKDVUVDE-UHFFFAOYSA-N
XLogP1.18
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one?
The IUPAC name of 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one (CID 150203652) is 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one is CC(C(=O)C(C)N1CC=C(N2CCOCC2)CC1)N1CC=C(N2CCOCC2)CC1.
What is the InChIKey of 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one?
The InChIKey is FQADYJKKDVUVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-19(24-7-3-21(4-8-24)26-11-15-29-16-12-26)23(28)20(2)25-9-5-22(6-10-25)27-13-17-30-18-14-27/h3,5,19-20H,4,6-18H2,1-2H3.
What are the key properties of 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one?
2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one has a molecular weight of 418.58 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one is sourced from PubChem (CID 150203652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).