tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate

C20H35NO3 — CID 137487632

IUPACtert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CCCC(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C20H35NO3/c1-19(2,3)24-18(23)20(12-6-4-7-13-20)14-10-11-17(22)21-15-8-5-9-16-21/h4-16H2,1-3H3
InChIKeyICHSAOJDIUELQY-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.46
Rot. Bonds5

About tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate

tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate (PubChem CID 137487632) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate
PubChem CID137487632
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Nametert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CCCC(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C20H35NO3/c1-19(2,3)24-18(23)20(12-6-4-7-13-20)14-10-11-17(22)21-15-8-5-9-16-21/h4-16H2,1-3H3
InChIKeyICHSAOJDIUELQY-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl 1-(7-bromoheptyl)cyclobutane-1-carboxylate
CID 166525029
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
tert-butyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
CID 154791918
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
tert-butyl 5-(5-bromopentanoyl)-1,5-diazocane-1-carboxylate
CID 125425975
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
4-(1-methoxycarbonylcyclohexyl)butanoic acid
CID 142915955
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
tert-butyl 1-[10-[1-(2-iminoacetyl)cyclobutyl]decyl]cyclopropane-1-carboxylate
CID 123874947

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate (CID 137487632) is tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1(CCCC(=O)N2CCCCC2)CCCCC1.
What is the InChIKey of tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate?
The InChIKey is ICHSAOJDIUELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-19(2,3)24-18(23)20(12-6-4-7-13-20)14-10-11-17(22)21-15-8-5-9-16-21/h4-16H2,1-3H3.
What are the key properties of tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate?
tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 137487632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).