(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H27N3O2 — CID 95896111

IUPAC(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCNCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2/c1-20-12-18(24)21-11-5-9-19(14-21)10-8-17(23)22(15-19)13-16-6-3-2-4-7-16/h2-4,6-7,20H,5,8-15H2,1H3/t19-/m1/s1
InChIKeySAUQYWQMPRSSFE-LJQANCHMSA-N
MW329.44 g/mol
LogP1.64
Rot. Bonds4

About (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95896111) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95896111
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCNCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2/c1-20-12-18(24)21-11-5-9-19(14-21)10-8-17(23)22(15-19)13-16-6-3-2-4-7-16/h2-4,6-7,20H,5,8-15H2,1H3/t19-/m1/s1
InChIKeySAUQYWQMPRSSFE-LJQANCHMSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896359
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95870066
N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]acetamide
CID 70732798
2-methyl-N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]propanamide
CID 70707164
2-methyl-N-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]propanamide
CID 95873898
1,1-dimethyl-3-[2-oxo-2-[3-oxo-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]urea
CID 70764104
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871259

Frequently Asked Questions

What is the IUPAC name of (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95896111) is (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is CNCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SAUQYWQMPRSSFE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20-12-18(24)21-11-5-9-19(14-21)10-8-17(23)22(15-19)13-16-6-3-2-4-7-16/h2-4,6-7,20H,5,8-15H2,1H3/t19-/m1/s1.
What are the key properties of (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 329.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95896111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).