3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one

C15H21N3O — CID 82098641

IUPAC3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCc1ccccc1CN1CC2(CCNCC2)NC1=O
InChIInChI=1S/C15H21N3O/c1-12-4-2-3-5-13(12)10-18-11-15(17-14(18)19)6-8-16-9-7-15/h2-5,16H,6-11H2,1H3,(H,17,19)
InChIKeyCRMQPEBXSWRWOG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.64
Rot. Bonds2

About 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one

3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098641) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098641
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCc1ccccc1CN1CC2(CCNCC2)NC1=O
InChIInChI=1S/C15H21N3O/c1-12-4-2-3-5-13(12)10-18-11-15(17-14(18)19)6-8-16-9-7-15/h2-5,16H,6-11H2,1H3,(H,17,19)
InChIKeyCRMQPEBXSWRWOG-UHFFFAOYSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 83894911
3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098639
3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098653
3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098655
4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol
CID 126846949
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
5-ethylspiro[3,6-dihydro-1H-1,5-benzodiazocine-2,4'-piperidine]-4-one
CID 155982691
3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
CID 68537801
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
(2S)-2-[2-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-6-azaspiro[2.5]octane
CID 164641445
4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064180
3-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 172905886

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098641) is 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is Cc1ccccc1CN1CC2(CCNCC2)NC1=O.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is CRMQPEBXSWRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-4-2-3-5-13(12)10-18-11-15(17-14(18)19)6-8-16-9-7-15/h2-5,16H,6-11H2,1H3,(H,17,19).
What are the key properties of 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).