4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one

C20H31N3O4 — CID 134796562

IUPAC4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
SMILESO=C(C1CCCN1C(=O)C1CCCC1)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C20H31N3O4/c24-18-14-27-13-12-22(18)16-7-10-21(11-8-16)20(26)17-6-3-9-23(17)19(25)15-4-1-2-5-15/h15-17H,1-14H2
InChIKeyZGUMGIBWXQKEEC-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.02
Rot. Bonds3

About 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one

4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one (PubChem CID 134796562) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
PubChem CID134796562
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
SMILESO=C(C1CCCN1C(=O)C1CCCC1)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C20H31N3O4/c24-18-14-27-13-12-22(18)16-7-10-21(11-8-16)20(26)17-6-3-9-23(17)19(25)15-4-1-2-5-15/h15-17H,1-14H2
InChIKeyZGUMGIBWXQKEEC-UHFFFAOYSA-N
XLogP1.02
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one (CID 134796562) is 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one is O=C(C1CCCN1C(=O)C1CCCC1)N1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is ZGUMGIBWXQKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c24-18-14-27-13-12-22(18)16-7-10-21(11-8-16)20(26)17-6-3-9-23(17)19(25)15-4-1-2-5-15/h15-17H,1-14H2.
What are the key properties of 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one?
4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 377.49 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134796562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).