4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one

C18H32N6O3 — CID 24791236

IUPAC4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one
SMILESCCCOC1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C18H32N6O3/c1-2-11-27-16-5-3-7-23(14-16)18(25)6-4-8-24-17(19-20-21-24)15-22-9-12-26-13-10-22/h16H,2-15H2,1H3
InChIKeyKNEWPZAJGUZYMT-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.70
Rot. Bonds9

About 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one

4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one (PubChem CID 24791236) has the molecular formula C18H32N6O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one
PubChem CID24791236
Molecular FormulaC18H32N6O3
Molecular Weight380.49 g/mol
Exact Mass380.25
IUPAC Name4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one
SMILESCCCOC1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C18H32N6O3/c1-2-11-27-16-5-3-7-23(14-16)18(25)6-4-8-24-17(19-20-21-24)15-22-9-12-26-13-10-22/h16H,2-15H2,1H3
InChIKeyKNEWPZAJGUZYMT-UHFFFAOYSA-N
XLogP0.70
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one (CID 24791236) is 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one is CCCOC1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one?
The InChIKey is KNEWPZAJGUZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O3/c1-2-11-27-16-5-3-7-23(14-16)18(25)6-4-8-24-17(19-20-21-24)15-22-9-12-26-13-10-22/h16H,2-15H2,1H3.
What are the key properties of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one?
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one has a molecular weight of 380.49 g/mol, XLogP of 0.70, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-(3-propoxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 24791236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).