5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

C23H39N3O3 — CID 110201693

IUPAC5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)CCC3CCCC3)CC2)CCCCCCN1
InChIInChI=1S/C23H39N3O3/c27-21-13-18-26(15-6-2-1-5-14-24-21)23(29)20-11-16-25(17-12-20)22(28)10-9-19-7-3-4-8-19/h19-20H,1-18H2,(H,24,27)
InChIKeyNEJFPLUSXPAGAN-UHFFFAOYSA-N
MW405.58 g/mol
LogP3.10
Rot. Bonds4

About 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201693) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201693
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)CCC3CCCC3)CC2)CCCCCCN1
InChIInChI=1S/C23H39N3O3/c27-21-13-18-26(15-6-2-1-5-14-24-21)23(29)20-11-16-25(17-12-20)22(28)10-9-19-7-3-4-8-19/h19-20H,1-18H2,(H,24,27)
InChIKeyNEJFPLUSXPAGAN-UHFFFAOYSA-N
XLogP3.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201693) is 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is O=C1CCN(C(=O)C2CCN(C(=O)CCC3CCCC3)CC2)CCCCCCN1.
What is the InChIKey of 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is NEJFPLUSXPAGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c27-21-13-18-26(15-6-2-1-5-14-24-21)23(29)20-11-16-25(17-12-20)22(28)10-9-19-7-3-4-8-19/h19-20H,1-18H2,(H,24,27).
What are the key properties of 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 405.58 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopentylpropanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).