7-benzyl-1,7-diazaspiro[4.4]nonan-2-one

C14H18N2O — CID 83823846

IUPAC7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1CCC2(CCN(Cc3ccccc3)C2)N1
InChIInChI=1S/C14H18N2O/c17-13-6-7-14(15-13)8-9-16(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)
InChIKeyYUXVPMDHUOHJGJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds2

About 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one

7-benzyl-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 83823846) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID83823846
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1CCC2(CCN(Cc3ccccc3)C2)N1
InChIInChI=1S/C14H18N2O/c17-13-6-7-14(15-13)8-9-16(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)
InChIKeyYUXVPMDHUOHJGJ-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
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8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 166265632
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877
7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 139457817
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one
CID 137194123
(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97370835
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
CID 164682604
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one (CID 83823846) is 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one is O=C1CCC2(CCN(Cc3ccccc3)C2)N1.
What is the InChIKey of 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is YUXVPMDHUOHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-13-6-7-14(15-13)8-9-16(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17).
What are the key properties of 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one?
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83823846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).