methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate

C21H30N2O2 — CID 57321062

IUPACmethyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)C1CCN(C(Cc2ccccc2)C2=CCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-3-23(21(24)25-2)19-12-14-22(15-13-19)20(18-10-7-11-18)16-17-8-5-4-6-9-17/h4-6,8-10,19-20H,3,7,11-16H2,1-2H3
InChIKeyHZLAAPRIJQJIHE-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.87
Rot. Bonds6

About methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate

methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate (PubChem CID 57321062) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate
PubChem CID57321062
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Namemethyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)C1CCN(C(Cc2ccccc2)C2=CCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-3-23(21(24)25-2)19-12-14-22(15-13-19)20(18-10-7-11-18)16-17-8-5-4-6-9-17/h4-6,8-10,19-20H,3,7,11-16H2,1-2H3
InChIKeyHZLAAPRIJQJIHE-UHFFFAOYSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.87
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

cyclohexyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 56980237
3-benzyl-1-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-1-methylurea
CID 56985677
methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
CID 19913817
N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
N-cyclopropyl-N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974289
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
2-(cyclobuten-1-yl)-3-phenylpropanoic acid
CID 57255521
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate?
The IUPAC name of methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate (CID 57321062) is methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate is CCN(C(=O)OC)C1CCN(C(Cc2ccccc2)C2=CCC2)CC1.
What is the InChIKey of methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate?
The InChIKey is HZLAAPRIJQJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-23(21(24)25-2)19-12-14-22(15-13-19)20(18-10-7-11-18)16-17-8-5-4-6-9-17/h4-6,8-10,19-20H,3,7,11-16H2,1-2H3.
What are the key properties of methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate?
methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate has a molecular weight of 342.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-N-ethylcarbamate is sourced from PubChem (CID 57321062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).