cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate

C22H32N2O4 — CID 24885233

IUPACcyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate
SMILESCOc1ccccc1NC(=O)CCCC1CCN(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C22H32N2O4/c1-27-20-11-5-4-10-19(20)23-21(25)12-6-7-17-13-15-24(16-14-17)22(26)28-18-8-2-3-9-18/h4-5,10-11,17-18H,2-3,6-9,12-16H2,1H3,(H,23,25)
InChIKeyJJIIQJOTAQURIV-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.60
Rot. Bonds7

About cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate

cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate (PubChem CID 24885233) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate
PubChem CID24885233
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Namecyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate
SMILESCOc1ccccc1NC(=O)CCCC1CCN(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C22H32N2O4/c1-27-20-11-5-4-10-19(20)23-21(25)12-6-7-17-13-15-24(16-14-17)22(26)28-18-8-2-3-9-18/h4-5,10-11,17-18H,2-3,6-9,12-16H2,1H3,(H,23,25)
InChIKeyJJIIQJOTAQURIV-UHFFFAOYSA-N
XLogP4.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
N-(2-methoxyphenyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150975
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
tert-butyl 4-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111062979
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate?
The IUPAC name of cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate (CID 24885233) is cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate is COc1ccccc1NC(=O)CCCC1CCN(C(=O)OC2CCCC2)CC1.
What is the InChIKey of cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate?
The InChIKey is JJIIQJOTAQURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-27-20-11-5-4-10-19(20)23-21(25)12-6-7-17-13-15-24(16-14-17)22(26)28-18-8-2-3-9-18/h4-5,10-11,17-18H,2-3,6-9,12-16H2,1H3,(H,23,25).
What are the key properties of cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate?
cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate is sourced from PubChem (CID 24885233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).