cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate

C25H36N2O2 — CID 56980237

IUPACcyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC1CCCCC1)C1CCN(C(Cc2ccccc2)C2=CCC2)CC1
InChIInChI=1S/C25H36N2O2/c1-26(25(28)29-23-13-6-3-7-14-23)22-15-17-27(18-16-22)24(21-11-8-12-21)19-20-9-4-2-5-10-20/h2,4-5,9-11,22-24H,3,6-8,12-19H2,1H3
InChIKeyUGCVYKVSODKYFS-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.18
Rot. Bonds6

About cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate

cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 56980237) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
PubChem CID56980237
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Namecyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC1CCCCC1)C1CCN(C(Cc2ccccc2)C2=CCC2)CC1
InChIInChI=1S/C25H36N2O2/c1-26(25(28)29-23-13-6-3-7-14-23)22-15-17-27(18-16-22)24(21-11-8-12-21)19-20-9-4-2-5-10-20/h2,4-5,9-11,22-24H,3,6-8,12-19H2,1H3
InChIKeyUGCVYKVSODKYFS-UHFFFAOYSA-N
XLogP5.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-1-methylurea
CID 56985677
methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate
CID 57321062
cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate
CID 19761207
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7610467
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate (CID 56980237) is cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC1CCCCC1)C1CCN(C(Cc2ccccc2)C2=CCC2)CC1.
What is the InChIKey of cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is UGCVYKVSODKYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-26(25(28)29-23-13-6-3-7-14-23)22-15-17-27(18-16-22)24(21-11-8-12-21)19-20-9-4-2-5-10-20/h2,4-5,9-11,22-24H,3,6-8,12-19H2,1H3.
What are the key properties of cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 396.58 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 56980237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).