methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate

C22H32N2O3 — CID 156864304

IUPACmethyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3cccc(C(C)(C)C)c3)CC2)C1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)18-7-5-6-16(12-18)15-8-10-24(11-9-15)20(25)17-13-19(14-17)23-21(26)27-4/h5-7,12,15,17,19H,8-11,13-14H2,1-4H3,(H,23,26)
InChIKeyHILWRZSFZWELTD-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.82
Rot. Bonds3

About methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate

methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate (PubChem CID 156864304) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
PubChem CID156864304
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Namemethyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3cccc(C(C)(C)C)c3)CC2)C1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)18-7-5-6-16(12-18)15-8-10-24(11-9-15)20(25)17-13-19(14-17)23-21(26)27-4/h5-7,12,15,17,19H,8-11,13-14H2,1-4H3,(H,23,26)
InChIKeyHILWRZSFZWELTD-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864271
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 156864323
methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
methyl N-[3-[(1S,5R)-6-[3-(2-methylpropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
CID 156825684
N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide
CID 156864422
methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
CID 156825741
tert-butyl N-[3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]carbamate
CID 91452029
methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
CID 156864542
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864335
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
CID 171152601

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate (CID 156864304) is methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CCC(c3cccc(C(C)(C)C)c3)CC2)C1.
What is the InChIKey of methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
The InChIKey is HILWRZSFZWELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)18-7-5-6-16(12-18)15-8-10-24(11-9-15)20(25)17-13-19(14-17)23-21(26)27-4/h5-7,12,15,17,19H,8-11,13-14H2,1-4H3,(H,23,26).
What are the key properties of methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156864304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).