tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate

C22H34N2O3 — CID 156864323

IUPACtert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
SMILESCC(C)(C)c1ccccc1.COC(=O)NC1CC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H20N2O3.C10H14/c1-17-12(16)13-10-7-9(8-10)11(15)14-5-3-2-4-6-14;1-10(2,3)9-7-5-4-6-8-9/h9-10H,2-8H2,1H3,(H,13,16);4-8H,1-3H3
InChIKeyWVLOYFSEDZNHKF-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.12
Rot. Bonds2

About tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate

tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate (PubChem CID 156864323) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
PubChem CID156864323
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC Nametert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
SMILESCC(C)(C)c1ccccc1.COC(=O)NC1CC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H20N2O3.C10H14/c1-17-12(16)13-10-7-9(8-10)11(15)14-5-3-2-4-6-14;1-10(2,3)9-7-5-4-6-8-9/h9-10H,2-8H2,1H3,(H,13,16);4-8H,1-3H3
InChIKeyWVLOYFSEDZNHKF-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
The IUPAC name of tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate (CID 156864323) is tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate is CC(C)(C)c1ccccc1.COC(=O)NC1CC(C(=O)N2CCCCC2)C1.
What is the InChIKey of tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
The InChIKey is WVLOYFSEDZNHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.C10H14/c1-17-12(16)13-10-7-9(8-10)11(15)14-5-3-2-4-6-14;1-10(2,3)9-7-5-4-6-8-9/h9-10H,2-8H2,1H3,(H,13,16);4-8H,1-3H3.
What are the key properties of tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate has a molecular weight of 374.52 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate is sourced from PubChem (CID 156864323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).