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

C20H35N3O3 — CID 110201673

IUPAC5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCC(C)CC(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1
InChIInChI=1S/C20H35N3O3/c1-16(2)15-19(25)22-12-7-17(8-13-22)20(26)23-11-6-4-3-5-10-21-18(24)9-14-23/h16-17H,3-15H2,1-2H3,(H,21,24)
InChIKeyADBSVAIJEDEOMC-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.18
Rot. Bonds3

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

5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201673) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201673
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCC(C)CC(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1
InChIInChI=1S/C20H35N3O3/c1-16(2)15-19(25)22-12-7-17(8-13-22)20(26)23-11-6-4-3-5-10-21-18(24)9-14-23/h16-17H,3-15H2,1-2H3,(H,21,24)
InChIKeyADBSVAIJEDEOMC-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201673) is 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is CC(C)CC(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1.
What is the InChIKey of 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is ADBSVAIJEDEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-16(2)15-19(25)22-12-7-17(8-13-22)20(26)23-11-6-4-3-5-10-21-18(24)9-14-23/h16-17H,3-15H2,1-2H3,(H,21,24).
What are the key properties of 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 365.52 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylbutanoyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).