7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione

C28H36N4O2 — CID 157188853

IUPAC7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESCN1C(=O)CN(Cc2ccccc2)C(=O)C12CC2.CN1CCN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C14H16N2O2.C14H20N2/c1-15-12(17)10-16(13(18)14(15)7-8-14)9-11-5-3-2-4-6-11;1-15-9-10-16(12-14(15)7-8-14)11-13-5-3-2-4-6-13/h2-6H,7-10H2,1H3;2-6H,7-12H2,1H3
InChIKeyAPLKXKBVKCRNAT-UHFFFAOYSA-N
MW460.62 g/mol
LogP2.99
Rot. Bonds4

About 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione

7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione (PubChem CID 157188853) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione.

Molecular Properties

Compound Name7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
PubChem CID157188853
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESCN1C(=O)CN(Cc2ccccc2)C(=O)C12CC2.CN1CCN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C14H16N2O2.C14H20N2/c1-15-12(17)10-16(13(18)14(15)7-8-14)9-11-5-3-2-4-6-11;1-15-9-10-16(12-14(15)7-8-14)11-13-5-3-2-4-6-13/h2-6H,7-10H2,1H3;2-6H,7-12H2,1H3
InChIKeyAPLKXKBVKCRNAT-UHFFFAOYSA-N
XLogP2.99
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2,8-dibenzyl-5-(2-methylpropanoyl)-2,5,8-triazadispiro[3.1.36.24]undecan-7-one
CID 139370870
2,8-dibenzyl-5-(2-methylpropanoyl)-2,5,8-triazadispiro[3.1.36.24]undecan-7-one
CID 139374401
4-[(4-tert-butylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759678
2-[(6S)-4-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-10-yl]acetic acid
CID 97140555
(6S)-1,10-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132062
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
2-[(6S)-4-[(4-carbamoylphenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-10-yl]acetic acid
CID 97139273
1,10-dimethyl-4-(3-phenylmethoxypropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70722921
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
(6S)-4-(furan-3-ylmethyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204877
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
4-[[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzoic acid
CID 98788809

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The IUPAC name of 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione (CID 157188853) is 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione.
What is the SMILES notation for 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The canonical SMILES for 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione is CN1C(=O)CN(Cc2ccccc2)C(=O)C12CC2.CN1CCN(Cc2ccccc2)CC12CC2.
What is the InChIKey of 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The InChIKey is APLKXKBVKCRNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C14H20N2/c1-15-12(17)10-16(13(18)14(15)7-8-14)9-11-5-3-2-4-6-11;1-15-9-10-16(12-14(15)7-8-14)11-13-5-3-2-4-6-13/h2-6H,7-10H2,1H3;2-6H,7-12H2,1H3.
What are the key properties of 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione has a molecular weight of 460.62 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione is sourced from PubChem (CID 157188853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).