1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one

C18H31N3O2 — CID 164636388

IUPAC1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one
SMILESCN1CCC[C@H](CCC(=O)N2CCNC(=O)C23CCCCC3)C1
InChIInChI=1S/C18H31N3O2/c1-20-12-5-6-15(14-20)7-8-16(22)21-13-11-19-17(23)18(21)9-3-2-4-10-18/h15H,2-14H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyGZQOMULTDJOWMU-OAHLLOKOSA-N
MW321.47 g/mol
LogP1.77
Rot. Bonds3

About 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one

1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 164636388) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID164636388
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one
SMILESCN1CCC[C@H](CCC(=O)N2CCNC(=O)C23CCCCC3)C1
InChIInChI=1S/C18H31N3O2/c1-20-12-5-6-15(14-20)7-8-16(22)21-13-11-19-17(23)18(21)9-3-2-4-10-18/h15H,2-14H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyGZQOMULTDJOWMU-OAHLLOKOSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one (CID 164636388) is 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one is CN1CCC[C@H](CCC(=O)N2CCNC(=O)C23CCCCC3)C1.
What is the InChIKey of 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is GZQOMULTDJOWMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-20-12-5-6-15(14-20)7-8-16(22)21-13-11-19-17(23)18(21)9-3-2-4-10-18/h15H,2-14H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one?
1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 321.47 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 164636388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).