cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate

C21H30N2O2 — CID 155875097

IUPACcyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
SMILESO=C(NC1CC2(CCN(Cc3ccccc3)CC2)C1)OC1CCCC1
InChIInChI=1S/C21H30N2O2/c24-20(25-19-8-4-5-9-19)22-18-14-21(15-18)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,24)
InChIKeyBKDIVNTVSZOJGK-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.10
Rot. Bonds4

About cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate

cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate (PubChem CID 155875097) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
PubChem CID155875097
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Namecyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
SMILESO=C(NC1CC2(CCN(Cc3ccccc3)CC2)C1)OC1CCCC1
InChIInChI=1S/C21H30N2O2/c24-20(25-19-8-4-5-9-19)22-18-14-21(15-18)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,24)
InChIKeyBKDIVNTVSZOJGK-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 155875065
benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463483
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid
CID 175911996
methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate
CID 122689814
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
2-fluoroethyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 155875064
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
benzyl N-[7-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463597

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
The IUPAC name of cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate (CID 155875097) is cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate.
What is the SMILES notation for cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
The canonical SMILES for cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate is O=C(NC1CC2(CCN(Cc3ccccc3)CC2)C1)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
The InChIKey is BKDIVNTVSZOJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(25-19-8-4-5-9-19)22-18-14-21(15-18)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,24).
What are the key properties of cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate has a molecular weight of 342.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate is sourced from PubChem (CID 155875097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).