4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide

C21H29N3O3 — CID 95873204

IUPAC4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-22-18(25)8-9-19(26)23-13-5-11-21(15-23)12-10-20(27)24(16-21)14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3,(H,22,25)/t21-/m1/s1
InChIKeyMSZFIIVEDUEIRE-OAQYLSRUSA-N
MW371.48 g/mol
LogP1.94
Rot. Bonds5

About 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide

4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide (PubChem CID 95873204) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
PubChem CID95873204
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-22-18(25)8-9-19(26)23-13-5-11-21(15-23)12-10-20(27)24(16-21)14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3,(H,22,25)/t21-/m1/s1
InChIKeyMSZFIIVEDUEIRE-OAQYLSRUSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide with MolForge

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Related Compounds

(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896359
(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95870066
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869220
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
(6S)-8-(3-pyrazol-1-ylpropanoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578286
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]acetamide
CID 70732798

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide (CID 95873204) is 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide?
The InChIKey is MSZFIIVEDUEIRE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-22-18(25)8-9-19(26)23-13-5-11-21(15-23)12-10-20(27)24(16-21)14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3,(H,22,25)/t21-/m1/s1.
What are the key properties of 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide?
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide has a molecular weight of 371.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 95873204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).