[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone

C20H35N3O2 — CID 97244378

IUPAC[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone
SMILESCOCCC1(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)N4C)CC2)CCC1
InChIInChI=1S/C20H35N3O2/c1-21-16-4-5-17(21)15-18(14-16)22-9-11-23(12-10-22)19(24)20(6-3-7-20)8-13-25-2/h16-18H,3-15H2,1-2H3/t16-,17+,18?
InChIKeyYRODCXMKDBGXDS-JWTNVVGKSA-N
MW349.52 g/mol
LogP1.96
Rot. Bonds5

About [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone

[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone (PubChem CID 97244378) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone
PubChem CID97244378
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone
SMILESCOCCC1(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)N4C)CC2)CCC1
InChIInChI=1S/C20H35N3O2/c1-21-16-4-5-17(21)15-18(14-16)22-9-11-23(12-10-22)19(24)20(6-3-7-20)8-13-25-2/h16-18H,3-15H2,1-2H3/t16-,17+,18?
InChIKeyYRODCXMKDBGXDS-JWTNVVGKSA-N
XLogP1.96
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 97226421
[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165747

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone (CID 97244378) is [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone is COCCC1(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)N4C)CC2)CCC1.
What is the InChIKey of [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone?
The InChIKey is YRODCXMKDBGXDS-JWTNVVGKSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-21-16-4-5-17(21)15-18(14-16)22-9-11-23(12-10-22)19(24)20(6-3-7-20)8-13-25-2/h16-18H,3-15H2,1-2H3/t16-,17+,18?.
What are the key properties of [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone?
[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone has a molecular weight of 349.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 97244378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).