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

C22H37N3O3 — CID 110201699

IUPAC5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)CC3CCCC3)CC2)CCCCCCN1
InChIInChI=1S/C22H37N3O3/c26-20-11-16-25(13-6-2-1-5-12-23-20)22(28)19-9-14-24(15-10-19)21(27)17-18-7-3-4-8-18/h18-19H,1-17H2,(H,23,26)
InChIKeyIREDQFLVAWLCDA-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.71
Rot. Bonds3

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

5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201699) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201699
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)CC3CCCC3)CC2)CCCCCCN1
InChIInChI=1S/C22H37N3O3/c26-20-11-16-25(13-6-2-1-5-12-23-20)22(28)19-9-14-24(15-10-19)21(27)17-18-7-3-4-8-18/h18-19H,1-17H2,(H,23,26)
InChIKeyIREDQFLVAWLCDA-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201699) is 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is O=C1CCN(C(=O)C2CCN(C(=O)CC3CCCC3)CC2)CCCCCCN1.
What is the InChIKey of 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is IREDQFLVAWLCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c26-20-11-16-25(13-6-2-1-5-12-23-20)22(28)19-9-14-24(15-10-19)21(27)17-18-7-3-4-8-18/h18-19H,1-17H2,(H,23,26).
What are the key properties of 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 391.56 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopentylacetyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).