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Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C22H32N2O2 — CID 155875065

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCc1ccccc1CN1CCC2(CC1)CC(NC(=O)OC1CCCC1)C2
InChIInChI=1S/C22H32N2O2/c1-17-6-2-3-7-18(17)16-24-12-10-22(11-13-24)14-19(15-22)23-21(25)26-20-8-4-5-9-20/h2-3,6-7,19-20H,4-5,8-16H2,1H3,(H,23,25)
InChIKeyVSYBQVWAWGUCHZ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.41
Rot. Bonds4

About Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 155875065) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound NameCyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID155875065
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Namecyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCc1ccccc1CN1CCC2(CC1)CC(NC(=O)OC1CCCC1)C2
InChIInChI=1S/C22H32N2O2/c1-17-6-2-3-7-18(17)16-24-12-10-22(11-13-24)14-19(15-22)23-21(25)26-20-8-4-5-9-20/h2-3,6-7,19-20H,4-5,8-16H2,1H3,(H,23,25)
InChIKeyVSYBQVWAWGUCHZ-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 155875065) is cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is Cc1ccccc1CN1CCC2(CC1)CC(NC(=O)OC1CCCC1)C2.
What is the InChIKey of Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is VSYBQVWAWGUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17-6-2-3-7-18(17)16-24-12-10-22(11-13-24)14-19(15-22)23-21(25)26-20-8-4-5-9-20/h2-3,6-7,19-20H,4-5,8-16H2,1H3,(H,23,25).
What are the key properties of Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 356.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 155875065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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