(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C16H26N2O3 — CID 97373256

IUPAC(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@]12CCCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C16H26N2O3/c1-17-14(19)4-2-7-16(17)8-3-9-18(12-16)15(20)13-5-10-21-11-6-13/h13H,2-12H2,1H3/t16-/m1/s1
InChIKeyVLPNOWOUEFEOEN-MRXNPFEDSA-N
MW294.40 g/mol
LogP1.42
Rot. Bonds1

About (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97373256) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97373256
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@]12CCCN(C(=O)C1CCOCC1)C2
InChIInChI=1S/C16H26N2O3/c1-17-14(19)4-2-7-16(17)8-3-9-18(12-16)15(20)13-5-10-21-11-6-13/h13H,2-12H2,1H3/t16-/m1/s1
InChIKeyVLPNOWOUEFEOEN-MRXNPFEDSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97373256) is (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CN1C(=O)CCC[C@]12CCCN(C(=O)C1CCOCC1)C2.
What is the InChIKey of (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is VLPNOWOUEFEOEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17-14(19)4-2-7-16(17)8-3-9-18(12-16)15(20)13-5-10-21-11-6-13/h13H,2-12H2,1H3/t16-/m1/s1.
What are the key properties of (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 294.40 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97373256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).