1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone

C16H26N2O3 — CID 39964571

IUPAC1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone
SMILESO=C(CC1(C(=O)N2CCCC2)CCCC1)N1CCOCC1
InChIInChI=1S/C16H26N2O3/c19-14(17-9-11-21-12-10-17)13-16(5-1-2-6-16)15(20)18-7-3-4-8-18/h1-13H2
InChIKeyVBUAQQZKWALVJU-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.42
Rot. Bonds3

About 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone

1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone (PubChem CID 39964571) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone
PubChem CID39964571
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone
SMILESO=C(CC1(C(=O)N2CCCC2)CCCC1)N1CCOCC1
InChIInChI=1S/C16H26N2O3/c19-14(17-9-11-21-12-10-17)13-16(5-1-2-6-16)15(20)18-7-3-4-8-18/h1-13H2
InChIKeyVBUAQQZKWALVJU-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone (CID 39964571) is 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone is O=C(CC1(C(=O)N2CCCC2)CCCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
The InChIKey is VBUAQQZKWALVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(17-9-11-21-12-10-17)13-16(5-1-2-6-16)15(20)18-7-3-4-8-18/h1-13H2.
What are the key properties of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone has a molecular weight of 294.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone is sourced from PubChem (CID 39964571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).