5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

C16H26N4O4 — CID 19900365

IUPAC5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCN(CC(=O)N3CCOCC3)CC2)N1
InChIInChI=1S/C16H26N4O4/c21-14-3-2-13(17-14)16(23)20-5-1-4-18(6-7-20)12-15(22)19-8-10-24-11-9-19/h13H,1-12H2,(H,17,21)
InChIKeyIGIUDHVUOGPVHA-UHFFFAOYSA-N
MW338.41 g/mol
LogP-1.34
Rot. Bonds3

About 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one (PubChem CID 19900365) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
PubChem CID19900365
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCN(CC(=O)N3CCOCC3)CC2)N1
InChIInChI=1S/C16H26N4O4/c21-14-3-2-13(17-14)16(23)20-5-1-4-18(6-7-20)12-15(22)19-8-10-24-11-9-19/h13H,1-12H2,(H,17,21)
InChIKeyIGIUDHVUOGPVHA-UHFFFAOYSA-N
XLogP-1.34
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one (CID 19900365) is 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCCN(CC(=O)N3CCOCC3)CC2)N1.
What is the InChIKey of 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IGIUDHVUOGPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c21-14-3-2-13(17-14)16(23)20-5-1-4-18(6-7-20)12-15(22)19-8-10-24-11-9-19/h13H,1-12H2,(H,17,21).
What are the key properties of 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one?
5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of -1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 19900365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).