cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C21H30N2O — CID 97450466

IUPACcyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ccc(CN2CCCC3(CCN(C(=O)C4CC4)CC3)C2)cc1
InChIInChI=1S/C21H30N2O/c1-17-3-5-18(6-4-17)15-22-12-2-9-21(16-22)10-13-23(14-11-21)20(24)19-7-8-19/h3-6,19H,2,7-16H2,1H3
InChIKeyRZUYWAJDSKBTOD-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.61
Rot. Bonds3

About cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone

cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97450466) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97450466
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Namecyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ccc(CN2CCCC3(CCN(C(=O)C4CC4)CC3)C2)cc1
InChIInChI=1S/C21H30N2O/c1-17-3-5-18(6-4-17)15-22-12-2-9-21(16-22)10-13-23(14-11-21)20(24)19-7-8-19/h3-6,19H,2,7-16H2,1H3
InChIKeyRZUYWAJDSKBTOD-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
4-[(9-acetyl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 3233592
cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 95199024
2-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449602
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
[4-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(2S)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833466
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide
CID 168974025
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97450466) is cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1ccc(CN2CCCC3(CCN(C(=O)C4CC4)CC3)C2)cc1.
What is the InChIKey of cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is RZUYWAJDSKBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-17-3-5-18(6-4-17)15-22-12-2-9-21(16-22)10-13-23(14-11-21)20(24)19-7-8-19/h3-6,19H,2,7-16H2,1H3.
What are the key properties of cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 326.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97450466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).