cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C23H34N2O — CID 45238198

IUPACcyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)C4CCCCC4)C3)C2)c1
InChIInChI=1S/C23H34N2O/c1-19-7-5-8-20(15-19)16-24-13-6-11-23(17-24)12-14-25(18-23)22(26)21-9-3-2-4-10-21/h5,7-8,15,21H,2-4,6,9-14,16-18H2,1H3
InChIKeyGKPBGGQIFTWSAD-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.39
Rot. Bonds3

About cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45238198) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID45238198
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Namecyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)C4CCCCC4)C3)C2)c1
InChIInChI=1S/C23H34N2O/c1-19-7-5-8-20(15-19)16-24-13-6-11-23(17-24)12-14-25(18-23)22(26)21-9-3-2-4-10-21/h5,7-8,15,21H,2-4,6,9-14,16-18H2,1H3
InChIKeyGKPBGGQIFTWSAD-UHFFFAOYSA-N
XLogP4.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45172895
3-[2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95712520
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 45222808
1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45170919
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 25365402
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126438656

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45238198) is cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1cccc(CN2CCCC3(CCN(C(=O)C4CCCCC4)C3)C2)c1.
What is the InChIKey of cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is GKPBGGQIFTWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-19-7-5-8-20(15-19)16-24-13-6-11-23(17-24)12-14-25(18-23)22(26)21-9-3-2-4-10-21/h5,7-8,15,21H,2-4,6,9-14,16-18H2,1H3.
What are the key properties of cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 354.54 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45238198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).