5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

C21H35N3O3 — CID 110201690

IUPAC5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)C3CCCC3)CC2)CCCCCCN1
InChIInChI=1S/C21H35N3O3/c25-19-11-16-23(13-6-2-1-5-12-22-19)21(27)18-9-14-24(15-10-18)20(26)17-7-3-4-8-17/h17-18H,1-16H2,(H,22,25)
InChIKeyQXOAKWJJDLCSIF-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.32
Rot. Bonds2

About 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201690) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201690
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)C3CCCC3)CC2)CCCCCCN1
InChIInChI=1S/C21H35N3O3/c25-19-11-16-23(13-6-2-1-5-12-22-19)21(27)18-9-14-24(15-10-18)20(26)17-7-3-4-8-17/h17-18H,1-16H2,(H,22,25)
InChIKeyQXOAKWJJDLCSIF-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201690) is 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is O=C1CCN(C(=O)C2CCN(C(=O)C3CCCC3)CC2)CCCCCCN1.
What is the InChIKey of 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is QXOAKWJJDLCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c25-19-11-16-23(13-6-2-1-5-12-22-19)21(27)18-9-14-24(15-10-18)20(26)17-7-3-4-8-17/h17-18H,1-16H2,(H,22,25).
What are the key properties of 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 377.53 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).