5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one

C20H35N3O3 — CID 45218058

IUPAC5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCCC2)CN1CCCN1CCOCC1
InChIInChI=1S/C20H35N3O3/c24-19-8-7-18(20(25)22-10-4-2-1-3-5-11-22)17-23(19)12-6-9-21-13-15-26-16-14-21/h18H,1-17H2
InChIKeyGZOQNLRHIAKSKO-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.74
Rot. Bonds5

About 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one

5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one (PubChem CID 45218058) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
PubChem CID45218058
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCCC2)CN1CCCN1CCOCC1
InChIInChI=1S/C20H35N3O3/c24-19-8-7-18(20(25)22-10-4-2-1-3-5-11-22)17-23(19)12-6-9-21-13-15-26-16-14-21/h18H,1-17H2
InChIKeyGZOQNLRHIAKSKO-UHFFFAOYSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The IUPAC name of 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one (CID 45218058) is 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one.
What is the SMILES notation for 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The canonical SMILES for 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCCCC2)CN1CCCN1CCOCC1.
What is the InChIKey of 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The InChIKey is GZOQNLRHIAKSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c24-19-8-7-18(20(25)22-10-4-2-1-3-5-11-22)17-23(19)12-6-9-21-13-15-26-16-14-21/h18H,1-17H2.
What are the key properties of 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one has a molecular weight of 365.52 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocane-1-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one is sourced from PubChem (CID 45218058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).